USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 118 MET CE :methyl -158:sc= 0 (180deg=-0.395) USER MOD Set 1.2: A 140 THR OG1 : rot -160:sc= -0.574 USER MOD Set 2.1: A 98 SER OG : rot 180:sc= -0.123 USER MOD Set 2.2: A 165 HIS : no HD1:sc= -2.23! C(o=-2.4!,f=-1.8!) USER MOD Single : A 96 THR OG1 : rot -38:sc= 0.00307 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 124:sc= 0.0152 USER MOD Single : A 122 CYS SG : rot 180:sc= -4.98! USER MOD Single : A 123 ASN : amide:sc= -0.33 X(o=-0.33,f=-0.01) USER MOD Single : A 125 GLN : amide:sc= -0.0631 X(o=-0.063,f=-0.38) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 MET CE :methyl -113:sc= -3.25 (180deg=-9.79!) USER MOD Single : A 129 THR OG1 : rot -150:sc= -0.103 USER MOD Single : A 138 THR OG1 : rot 162:sc= 0.00573 USER MOD Single : A 141 HIS : no HD1:sc= -1.22 K(o=-1.2,f=-0.054) USER MOD Single : A 143 SER OG : rot 180:sc= 0 USER MOD Single : A 146 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 147 HIS : no HD1:sc=-0.00177 X(o=-0.0018,f=-0.13) USER MOD Single : A 149 CYS SG : rot 110:sc= -0.625 USER MOD Single : A 150 TYR OH : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 SER OG : rot 180:sc= 0 USER MOD Single : A 156 SER OG : rot 180:sc=-0.00978 USER MOD Single : A 158 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 160 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 166 THR OG1 : rot 57:sc= 1.12 USER MOD Single : A 171 ASN : amide:sc= -0.0217 X(o=-0.022,f=0) USER MOD ----------------------------------------------------------------- ATOM 145 N THR A 96 11.231 1.188 -8.448 1.00 22.40 N ATOM 146 CA THR A 96 11.326 1.544 -7.038 1.00 74.22 C ATOM 147 C THR A 96 10.080 2.289 -6.575 1.00 13.55 C ATOM 148 O THR A 96 10.150 3.154 -5.701 1.00 41.21 O ATOM 149 CB THR A 96 12.565 2.415 -6.761 1.00 24.24 C ATOM 150 OG1 THR A 96 12.408 3.699 -7.376 1.00 45.24 O ATOM 151 CG2 THR A 96 13.826 1.746 -7.286 1.00 44.13 C ATOM 0 HA THR A 96 11.416 0.611 -6.481 1.00 74.22 H new ATOM 0 HB THR A 96 12.661 2.538 -5.682 1.00 24.24 H new ATOM 0 HG1 THR A 96 11.961 3.595 -8.242 1.00 45.24 H new ATOM 0 HG21 THR A 96 14.688 2.380 -7.079 1.00 44.13 H new ATOM 0 HG22 THR A 96 13.958 0.782 -6.794 1.00 44.13 H new ATOM 0 HG23 THR A 96 13.737 1.595 -8.362 1.00 44.13 H new ATOM 159 N THR A 97 8.938 1.949 -7.164 1.00 42.12 N ATOM 160 CA THR A 97 7.675 2.587 -6.811 1.00 25.33 C ATOM 161 C THR A 97 6.490 1.721 -7.220 1.00 53.21 C ATOM 162 O THR A 97 6.387 1.296 -8.371 1.00 12.13 O ATOM 163 CB THR A 97 7.541 3.970 -7.475 1.00 12.21 C ATOM 164 OG1 THR A 97 8.176 3.961 -8.758 1.00 53.30 O ATOM 165 CG2 THR A 97 8.161 5.052 -6.603 1.00 64.43 C ATOM 0 H THR A 97 8.861 1.235 -7.888 1.00 42.12 H new ATOM 0 HA THR A 97 7.674 2.711 -5.728 1.00 25.33 H new ATOM 0 HB THR A 97 6.480 4.189 -7.597 1.00 12.21 H new ATOM 0 HG1 THR A 97 8.085 4.843 -9.174 1.00 53.30 H new ATOM 0 HG21 THR A 97 8.054 6.020 -7.093 1.00 64.43 H new ATOM 0 HG22 THR A 97 7.655 5.076 -5.638 1.00 64.43 H new ATOM 0 HG23 THR A 97 9.219 4.836 -6.453 1.00 64.43 H new ATOM 173 N SER A 98 5.595 1.465 -6.272 1.00 34.21 N ATOM 174 CA SER A 98 4.416 0.647 -6.533 1.00 42.43 C ATOM 175 C SER A 98 3.161 1.511 -6.603 1.00 71.41 C ATOM 176 O SER A 98 3.087 2.573 -5.984 1.00 4.01 O ATOM 177 CB SER A 98 4.256 -0.418 -5.446 1.00 10.13 C ATOM 178 OG SER A 98 4.904 -1.624 -5.815 1.00 34.03 O ATOM 0 H SER A 98 5.664 1.812 -5.315 1.00 34.21 H new ATOM 0 HA SER A 98 4.552 0.155 -7.496 1.00 42.43 H new ATOM 0 HB2 SER A 98 4.672 -0.050 -4.508 1.00 10.13 H new ATOM 0 HB3 SER A 98 3.197 -0.609 -5.272 1.00 10.13 H new ATOM 0 HG SER A 98 4.789 -2.288 -5.104 1.00 34.03 H new ATOM 184 N THR A 99 2.172 1.047 -7.362 1.00 61.04 N ATOM 185 CA THR A 99 0.920 1.776 -7.516 1.00 10.11 C ATOM 186 C THR A 99 -0.278 0.839 -7.410 1.00 12.42 C ATOM 187 O THR A 99 -0.166 -0.359 -7.670 1.00 52.05 O ATOM 188 CB THR A 99 0.862 2.516 -8.865 1.00 72.55 C ATOM 189 OG1 THR A 99 2.103 3.183 -9.113 1.00 63.42 O ATOM 190 CG2 THR A 99 -0.275 3.526 -8.880 1.00 61.34 C ATOM 0 H THR A 99 2.215 0.169 -7.879 1.00 61.04 H new ATOM 0 HA THR A 99 0.879 2.507 -6.708 1.00 10.11 H new ATOM 0 HB THR A 99 0.684 1.780 -9.649 1.00 72.55 H new ATOM 0 HG1 THR A 99 2.057 3.650 -9.974 1.00 63.42 H new ATOM 0 HG21 THR A 99 -0.296 4.036 -9.843 1.00 61.34 H new ATOM 0 HG22 THR A 99 -1.222 3.010 -8.722 1.00 61.34 H new ATOM 0 HG23 THR A 99 -0.123 4.257 -8.086 1.00 61.34 H new ATOM 198 N TRP A 100 -1.423 1.392 -7.027 1.00 33.14 N ATOM 199 CA TRP A 100 -2.643 0.604 -6.887 1.00 71.31 C ATOM 200 C TRP A 100 -3.874 1.449 -7.195 1.00 31.53 C ATOM 201 O TRP A 100 -4.007 2.571 -6.708 1.00 13.11 O ATOM 202 CB TRP A 100 -2.745 0.029 -5.474 1.00 5.34 C ATOM 203 CG TRP A 100 -1.589 -0.853 -5.107 1.00 11.04 C ATOM 204 CD1 TRP A 100 -1.415 -2.162 -5.453 1.00 71.33 C ATOM 205 CD2 TRP A 100 -0.450 -0.489 -4.320 1.00 42.02 C ATOM 206 NE1 TRP A 100 -0.235 -2.634 -4.930 1.00 31.21 N ATOM 207 CE2 TRP A 100 0.376 -1.627 -4.231 1.00 41.41 C ATOM 208 CE3 TRP A 100 -0.045 0.687 -3.683 1.00 44.41 C ATOM 209 CZ2 TRP A 100 1.580 -1.621 -3.531 1.00 71.14 C ATOM 210 CZ3 TRP A 100 1.150 0.692 -2.989 1.00 74.24 C ATOM 211 CH2 TRP A 100 1.951 -0.456 -2.917 1.00 45.33 C ATOM 0 H TRP A 100 -1.533 2.382 -6.808 1.00 33.14 H new ATOM 0 HA TRP A 100 -2.600 -0.217 -7.603 1.00 71.31 H new ATOM 0 HB2 TRP A 100 -2.808 0.849 -4.759 1.00 5.34 H new ATOM 0 HB3 TRP A 100 -3.670 -0.541 -5.387 1.00 5.34 H new ATOM 0 HD1 TRP A 100 -2.104 -2.742 -6.050 1.00 71.33 H new ATOM 0 HE1 TRP A 100 0.127 -3.581 -5.044 1.00 31.21 H new ATOM 0 HE3 TRP A 100 -0.655 1.577 -3.732 1.00 44.41 H new ATOM 0 HZ2 TRP A 100 2.199 -2.504 -3.475 1.00 71.14 H new ATOM 0 HZ3 TRP A 100 1.472 1.596 -2.494 1.00 74.24 H new ATOM 0 HH2 TRP A 100 2.879 -0.420 -2.366 1.00 45.33 H new ATOM 222 N VAL A 101 -4.773 0.901 -8.007 1.00 14.41 N ATOM 223 CA VAL A 101 -5.995 1.605 -8.379 1.00 33.23 C ATOM 224 C VAL A 101 -7.225 0.915 -7.799 1.00 1.24 C ATOM 225 O VAL A 101 -7.543 -0.218 -8.162 1.00 31.24 O ATOM 226 CB VAL A 101 -6.147 1.698 -9.909 1.00 65.50 C ATOM 227 CG1 VAL A 101 -7.307 2.610 -10.277 1.00 71.44 C ATOM 228 CG2 VAL A 101 -4.852 2.186 -10.543 1.00 70.02 C ATOM 0 H VAL A 101 -4.678 -0.027 -8.419 1.00 14.41 H new ATOM 0 HA VAL A 101 -5.917 2.611 -7.967 1.00 33.23 H new ATOM 0 HB VAL A 101 -6.363 0.702 -10.297 1.00 65.50 H new ATOM 0 HG11 VAL A 101 -7.398 2.663 -11.362 1.00 71.44 H new ATOM 0 HG12 VAL A 101 -8.230 2.213 -9.854 1.00 71.44 H new ATOM 0 HG13 VAL A 101 -7.125 3.608 -9.879 1.00 71.44 H new ATOM 0 HG21 VAL A 101 -4.976 2.246 -11.624 1.00 70.02 H new ATOM 0 HG22 VAL A 101 -4.604 3.172 -10.151 1.00 70.02 H new ATOM 0 HG23 VAL A 101 -4.047 1.489 -10.309 1.00 70.02 H new ATOM 238 N LEU A 102 -7.913 1.605 -6.897 1.00 1.03 N ATOM 239 CA LEU A 102 -9.110 1.059 -6.266 1.00 13.45 C ATOM 240 C LEU A 102 -10.184 2.132 -6.117 1.00 71.32 C ATOM 241 O LEU A 102 -9.879 3.307 -5.918 1.00 11.22 O ATOM 242 CB LEU A 102 -8.765 0.474 -4.895 1.00 32.31 C ATOM 243 CG LEU A 102 -8.425 1.484 -3.799 1.00 61.25 C ATOM 244 CD1 LEU A 102 -9.105 1.104 -2.493 1.00 53.23 C ATOM 245 CD2 LEU A 102 -6.918 1.579 -3.610 1.00 72.43 C ATOM 0 H LEU A 102 -7.663 2.544 -6.586 1.00 1.03 H new ATOM 0 HA LEU A 102 -9.499 0.267 -6.906 1.00 13.45 H new ATOM 0 HB2 LEU A 102 -9.608 -0.128 -4.557 1.00 32.31 H new ATOM 0 HB3 LEU A 102 -7.918 -0.202 -5.014 1.00 32.31 H new ATOM 0 HG LEU A 102 -8.795 2.462 -4.106 1.00 61.25 H new ATOM 0 HD11 LEU A 102 -8.851 1.834 -1.725 1.00 53.23 H new ATOM 0 HD12 LEU A 102 -10.185 1.089 -2.636 1.00 53.23 H new ATOM 0 HD13 LEU A 102 -8.766 0.116 -2.180 1.00 53.23 H new ATOM 0 HD21 LEU A 102 -6.695 2.303 -2.826 1.00 72.43 H new ATOM 0 HD22 LEU A 102 -6.525 0.603 -3.326 1.00 72.43 H new ATOM 0 HD23 LEU A 102 -6.454 1.900 -4.543 1.00 72.43 H new ATOM 257 N ARG A 103 -11.444 1.717 -6.213 1.00 41.12 N ATOM 258 CA ARG A 103 -12.563 2.642 -6.089 1.00 35.12 C ATOM 259 C ARG A 103 -12.749 3.079 -4.639 1.00 14.52 C ATOM 260 O ARG A 103 -13.432 2.411 -3.861 1.00 23.04 O ATOM 261 CB ARG A 103 -13.849 1.993 -6.606 1.00 31.54 C ATOM 262 CG ARG A 103 -14.187 2.368 -8.040 1.00 31.41 C ATOM 263 CD ARG A 103 -15.686 2.316 -8.290 1.00 42.43 C ATOM 264 NE ARG A 103 -16.188 3.562 -8.865 1.00 23.42 N ATOM 265 CZ ARG A 103 -17.402 3.694 -9.386 1.00 13.11 C ATOM 266 NH1 ARG A 103 -18.235 2.662 -9.406 1.00 4.11 N ATOM 267 NH2 ARG A 103 -17.786 4.860 -9.889 1.00 40.25 N ATOM 0 H ARG A 103 -11.714 0.747 -6.376 1.00 41.12 H new ATOM 0 HA ARG A 103 -12.341 3.523 -6.691 1.00 35.12 H new ATOM 0 HB2 ARG A 103 -13.753 0.910 -6.536 1.00 31.54 H new ATOM 0 HB3 ARG A 103 -14.677 2.282 -5.959 1.00 31.54 H new ATOM 0 HG2 ARG A 103 -13.816 3.371 -8.252 1.00 31.41 H new ATOM 0 HG3 ARG A 103 -13.679 1.689 -8.724 1.00 31.41 H new ATOM 0 HD2 ARG A 103 -15.913 1.489 -8.963 1.00 42.43 H new ATOM 0 HD3 ARG A 103 -16.203 2.115 -7.352 1.00 42.43 H new ATOM 0 HE ARG A 103 -15.572 4.375 -8.866 1.00 23.42 H new ATOM 0 HH11 ARG A 103 -17.944 1.764 -9.020 1.00 4.11 H new ATOM 0 HH12 ARG A 103 -19.167 2.767 -9.807 1.00 4.11 H new ATOM 0 HH21 ARG A 103 -17.148 5.656 -9.876 1.00 40.25 H new ATOM 0 HH22 ARG A 103 -18.719 4.960 -10.289 1.00 40.25 H new ATOM 281 N LEU A 104 -12.139 4.204 -4.282 1.00 63.34 N ATOM 282 CA LEU A 104 -12.235 4.730 -2.925 1.00 70.33 C ATOM 283 C LEU A 104 -12.749 6.166 -2.934 1.00 3.52 C ATOM 284 O LEU A 104 -12.543 6.904 -3.898 1.00 61.45 O ATOM 285 CB LEU A 104 -10.872 4.667 -2.234 1.00 41.10 C ATOM 286 CG LEU A 104 -10.892 4.352 -0.738 1.00 34.22 C ATOM 287 CD1 LEU A 104 -9.775 3.384 -0.382 1.00 72.33 C ATOM 288 CD2 LEU A 104 -10.772 5.630 0.078 1.00 13.13 C ATOM 0 H LEU A 104 -11.572 4.770 -4.914 1.00 63.34 H new ATOM 0 HA LEU A 104 -12.943 4.113 -2.372 1.00 70.33 H new ATOM 0 HB2 LEU A 104 -10.267 3.912 -2.736 1.00 41.10 H new ATOM 0 HB3 LEU A 104 -10.370 5.624 -2.377 1.00 41.10 H new ATOM 0 HG LEU A 104 -11.845 3.880 -0.498 1.00 34.22 H new ATOM 0 HD11 LEU A 104 -9.805 3.171 0.687 1.00 72.33 H new ATOM 0 HD12 LEU A 104 -9.905 2.457 -0.940 1.00 72.33 H new ATOM 0 HD13 LEU A 104 -8.813 3.829 -0.637 1.00 72.33 H new ATOM 0 HD21 LEU A 104 -10.788 5.386 1.140 1.00 13.13 H new ATOM 0 HD22 LEU A 104 -9.835 6.130 -0.165 1.00 13.13 H new ATOM 0 HD23 LEU A 104 -11.607 6.290 -0.155 1.00 13.13 H new ATOM 300 N ASP A 105 -13.416 6.557 -1.854 1.00 25.40 N ATOM 301 CA ASP A 105 -13.956 7.907 -1.736 1.00 20.54 C ATOM 302 C ASP A 105 -15.036 8.153 -2.784 1.00 13.23 C ATOM 303 O ASP A 105 -15.417 9.295 -3.040 1.00 20.13 O ATOM 304 CB ASP A 105 -12.839 8.940 -1.882 1.00 40.54 C ATOM 305 CG ASP A 105 -13.150 10.237 -1.160 1.00 75.31 C ATOM 306 OD1 ASP A 105 -13.648 10.174 -0.016 1.00 42.12 O ATOM 307 OD2 ASP A 105 -12.897 11.313 -1.739 1.00 40.33 O ATOM 0 H ASP A 105 -13.596 5.959 -1.048 1.00 25.40 H new ATOM 0 HA ASP A 105 -14.405 8.008 -0.748 1.00 20.54 H new ATOM 0 HB2 ASP A 105 -11.910 8.524 -1.491 1.00 40.54 H new ATOM 0 HB3 ASP A 105 -12.676 9.147 -2.940 1.00 40.54 H new ATOM 312 N GLY A 106 -15.524 7.075 -3.389 1.00 51.13 N ATOM 313 CA GLY A 106 -16.554 7.196 -4.404 1.00 12.13 C ATOM 314 C GLY A 106 -15.981 7.416 -5.789 1.00 60.10 C ATOM 315 O GLY A 106 -16.724 7.573 -6.758 1.00 23.52 O ATOM 0 H GLY A 106 -15.224 6.120 -3.194 1.00 51.13 H new ATOM 0 HA2 GLY A 106 -17.165 6.293 -4.406 1.00 12.13 H new ATOM 0 HA3 GLY A 106 -17.213 8.026 -4.151 1.00 12.13 H new ATOM 319 N GLU A 107 -14.654 7.429 -5.884 1.00 12.14 N ATOM 320 CA GLU A 107 -13.982 7.634 -7.161 1.00 74.01 C ATOM 321 C GLU A 107 -12.765 6.723 -7.288 1.00 20.02 C ATOM 322 O GLU A 107 -12.385 6.041 -6.336 1.00 2.13 O ATOM 323 CB GLU A 107 -13.557 9.096 -7.310 1.00 51.14 C ATOM 324 CG GLU A 107 -14.690 10.021 -7.723 1.00 25.14 C ATOM 325 CD GLU A 107 -14.373 10.805 -8.982 1.00 32.33 C ATOM 326 OE1 GLU A 107 -13.836 10.205 -9.935 1.00 53.33 O ATOM 327 OE2 GLU A 107 -14.665 12.019 -9.013 1.00 1.31 O ATOM 0 H GLU A 107 -14.025 7.300 -5.092 1.00 12.14 H new ATOM 0 HA GLU A 107 -14.685 7.385 -7.956 1.00 74.01 H new ATOM 0 HB2 GLU A 107 -13.143 9.443 -6.364 1.00 51.14 H new ATOM 0 HB3 GLU A 107 -12.759 9.160 -8.050 1.00 51.14 H new ATOM 0 HG2 GLU A 107 -15.594 9.433 -7.883 1.00 25.14 H new ATOM 0 HG3 GLU A 107 -14.902 10.716 -6.910 1.00 25.14 H new ATOM 334 N ASP A 108 -12.158 6.716 -8.470 1.00 12.32 N ATOM 335 CA ASP A 108 -10.984 5.890 -8.722 1.00 30.01 C ATOM 336 C ASP A 108 -9.782 6.399 -7.932 1.00 21.10 C ATOM 337 O ASP A 108 -9.011 7.226 -8.418 1.00 2.24 O ATOM 338 CB ASP A 108 -10.657 5.874 -10.216 1.00 73.14 C ATOM 339 CG ASP A 108 -11.193 4.638 -10.912 1.00 61.32 C ATOM 340 OD1 ASP A 108 -10.530 3.582 -10.841 1.00 21.13 O ATOM 341 OD2 ASP A 108 -12.275 4.727 -11.528 1.00 31.11 O ATOM 0 H ASP A 108 -12.460 7.274 -9.269 1.00 12.32 H new ATOM 0 HA ASP A 108 -11.208 4.874 -8.395 1.00 30.01 H new ATOM 0 HB2 ASP A 108 -11.077 6.763 -10.686 1.00 73.14 H new ATOM 0 HB3 ASP A 108 -9.576 5.923 -10.349 1.00 73.14 H new ATOM 346 N LEU A 109 -9.630 5.899 -6.710 1.00 64.53 N ATOM 347 CA LEU A 109 -8.522 6.302 -5.851 1.00 0.23 C ATOM 348 C LEU A 109 -7.214 5.671 -6.316 1.00 32.12 C ATOM 349 O LEU A 109 -7.148 4.466 -6.560 1.00 43.23 O ATOM 350 CB LEU A 109 -8.806 5.907 -4.400 1.00 44.12 C ATOM 351 CG LEU A 109 -7.826 6.442 -3.356 1.00 33.22 C ATOM 352 CD1 LEU A 109 -8.519 7.427 -2.427 1.00 54.54 C ATOM 353 CD2 LEU A 109 -7.217 5.296 -2.560 1.00 43.04 C ATOM 0 H LEU A 109 -10.260 5.214 -6.292 1.00 64.53 H new ATOM 0 HA LEU A 109 -8.422 7.386 -5.913 1.00 0.23 H new ATOM 0 HB2 LEU A 109 -9.807 6.251 -4.140 1.00 44.12 H new ATOM 0 HB3 LEU A 109 -8.816 4.819 -4.336 1.00 44.12 H new ATOM 0 HG LEU A 109 -7.024 6.966 -3.875 1.00 33.22 H new ATOM 0 HD11 LEU A 109 -7.805 7.797 -1.691 1.00 54.54 H new ATOM 0 HD12 LEU A 109 -8.907 8.264 -3.008 1.00 54.54 H new ATOM 0 HD13 LEU A 109 -9.342 6.928 -1.915 1.00 54.54 H new ATOM 0 HD21 LEU A 109 -6.522 5.695 -1.821 1.00 43.04 H new ATOM 0 HD22 LEU A 109 -8.008 4.744 -2.053 1.00 43.04 H new ATOM 0 HD23 LEU A 109 -6.684 4.627 -3.235 1.00 43.04 H new ATOM 365 N ARG A 110 -6.175 6.491 -6.432 1.00 23.52 N ATOM 366 CA ARG A 110 -4.868 6.012 -6.866 1.00 33.23 C ATOM 367 C ARG A 110 -3.863 6.061 -5.719 1.00 71.03 C ATOM 368 O ARG A 110 -3.568 7.130 -5.183 1.00 75.12 O ATOM 369 CB ARG A 110 -4.359 6.849 -8.041 1.00 35.32 C ATOM 370 CG ARG A 110 -3.336 6.128 -8.904 1.00 34.30 C ATOM 371 CD ARG A 110 -3.406 6.588 -10.352 1.00 14.11 C ATOM 372 NE ARG A 110 -2.774 7.891 -10.543 1.00 12.33 N ATOM 373 CZ ARG A 110 -2.355 8.339 -11.721 1.00 12.11 C ATOM 374 NH1 ARG A 110 -2.500 7.592 -12.807 1.00 44.40 N ATOM 375 NH2 ARG A 110 -1.789 9.536 -11.814 1.00 71.25 N ATOM 0 H ARG A 110 -6.213 7.490 -6.232 1.00 23.52 H new ATOM 0 HA ARG A 110 -4.976 4.976 -7.187 1.00 33.23 H new ATOM 0 HB2 ARG A 110 -5.206 7.140 -8.663 1.00 35.32 H new ATOM 0 HB3 ARG A 110 -3.915 7.767 -7.657 1.00 35.32 H new ATOM 0 HG2 ARG A 110 -2.335 6.309 -8.512 1.00 34.30 H new ATOM 0 HG3 ARG A 110 -3.509 5.053 -8.854 1.00 34.30 H new ATOM 0 HD2 ARG A 110 -2.918 5.851 -10.990 1.00 14.11 H new ATOM 0 HD3 ARG A 110 -4.449 6.641 -10.666 1.00 14.11 H new ATOM 0 HE ARG A 110 -2.648 8.490 -9.727 1.00 12.33 H new ATOM 0 HH11 ARG A 110 -2.934 6.671 -12.739 1.00 44.40 H new ATOM 0 HH12 ARG A 110 -2.178 7.938 -13.711 1.00 44.40 H new ATOM 0 HH21 ARG A 110 -1.676 10.113 -10.980 1.00 71.25 H new ATOM 0 HH22 ARG A 110 -1.468 9.879 -12.719 1.00 71.25 H new ATOM 389 N VAL A 111 -3.340 4.897 -5.347 1.00 11.11 N ATOM 390 CA VAL A 111 -2.367 4.807 -4.264 1.00 52.42 C ATOM 391 C VAL A 111 -0.975 4.490 -4.801 1.00 14.21 C ATOM 392 O VAL A 111 -0.826 3.736 -5.762 1.00 30.40 O ATOM 393 CB VAL A 111 -2.767 3.730 -3.239 1.00 40.12 C ATOM 394 CG1 VAL A 111 -2.608 4.258 -1.821 1.00 31.31 C ATOM 395 CG2 VAL A 111 -4.194 3.264 -3.486 1.00 3.02 C ATOM 0 H VAL A 111 -3.574 4.003 -5.779 1.00 11.11 H new ATOM 0 HA VAL A 111 -2.351 5.779 -3.771 1.00 52.42 H new ATOM 0 HB VAL A 111 -2.103 2.874 -3.359 1.00 40.12 H new ATOM 0 HG11 VAL A 111 -2.895 3.483 -1.110 1.00 31.31 H new ATOM 0 HG12 VAL A 111 -1.568 4.539 -1.652 1.00 31.31 H new ATOM 0 HG13 VAL A 111 -3.246 5.131 -1.684 1.00 31.31 H new ATOM 0 HG21 VAL A 111 -4.460 2.503 -2.753 1.00 3.02 H new ATOM 0 HG22 VAL A 111 -4.874 4.111 -3.394 1.00 3.02 H new ATOM 0 HG23 VAL A 111 -4.271 2.844 -4.489 1.00 3.02 H new ATOM 405 N VAL A 112 0.041 5.072 -4.173 1.00 5.23 N ATOM 406 CA VAL A 112 1.422 4.852 -4.586 1.00 23.21 C ATOM 407 C VAL A 112 2.325 4.616 -3.380 1.00 31.11 C ATOM 408 O VAL A 112 2.042 5.086 -2.278 1.00 20.44 O ATOM 409 CB VAL A 112 1.964 6.046 -5.394 1.00 20.42 C ATOM 410 CG1 VAL A 112 3.302 5.697 -6.027 1.00 3.42 C ATOM 411 CG2 VAL A 112 0.959 6.471 -6.453 1.00 3.55 C ATOM 0 H VAL A 112 -0.066 5.700 -3.376 1.00 5.23 H new ATOM 0 HA VAL A 112 1.426 3.964 -5.218 1.00 23.21 H new ATOM 0 HB VAL A 112 2.118 6.884 -4.714 1.00 20.42 H new ATOM 0 HG11 VAL A 112 3.670 6.552 -6.594 1.00 3.42 H new ATOM 0 HG12 VAL A 112 4.019 5.444 -5.246 1.00 3.42 H new ATOM 0 HG13 VAL A 112 3.177 4.845 -6.695 1.00 3.42 H new ATOM 0 HG21 VAL A 112 1.358 7.316 -7.015 1.00 3.55 H new ATOM 0 HG22 VAL A 112 0.772 5.639 -7.132 1.00 3.55 H new ATOM 0 HG23 VAL A 112 0.025 6.763 -5.972 1.00 3.55 H new ATOM 421 N LEU A 113 3.413 3.886 -3.597 1.00 0.33 N ATOM 422 CA LEU A 113 4.360 3.587 -2.528 1.00 12.35 C ATOM 423 C LEU A 113 5.788 3.912 -2.958 1.00 54.15 C ATOM 424 O LEU A 113 6.386 3.186 -3.752 1.00 74.41 O ATOM 425 CB LEU A 113 4.258 2.115 -2.126 1.00 4.25 C ATOM 426 CG LEU A 113 5.341 1.603 -1.176 1.00 23.42 C ATOM 427 CD1 LEU A 113 5.649 2.640 -0.107 1.00 41.21 C ATOM 428 CD2 LEU A 113 4.912 0.290 -0.538 1.00 32.53 C ATOM 0 H LEU A 113 3.662 3.490 -4.503 1.00 0.33 H new ATOM 0 HA LEU A 113 4.109 4.209 -1.669 1.00 12.35 H new ATOM 0 HB2 LEU A 113 3.287 1.953 -1.659 1.00 4.25 H new ATOM 0 HB3 LEU A 113 4.281 1.509 -3.032 1.00 4.25 H new ATOM 0 HG LEU A 113 6.249 1.426 -1.753 1.00 23.42 H new ATOM 0 HD11 LEU A 113 6.422 2.257 0.559 1.00 41.21 H new ATOM 0 HD12 LEU A 113 5.999 3.557 -0.580 1.00 41.21 H new ATOM 0 HD13 LEU A 113 4.747 2.850 0.467 1.00 41.21 H new ATOM 0 HD21 LEU A 113 5.695 -0.060 0.135 1.00 32.53 H new ATOM 0 HD22 LEU A 113 3.991 0.443 0.025 1.00 32.53 H new ATOM 0 HD23 LEU A 113 4.743 -0.454 -1.316 1.00 32.53 H new ATOM 440 N GLU A 114 6.327 5.004 -2.427 1.00 12.23 N ATOM 441 CA GLU A 114 7.685 5.423 -2.756 1.00 55.11 C ATOM 442 C GLU A 114 8.707 4.644 -1.934 1.00 71.13 C ATOM 443 O GLU A 114 8.542 4.458 -0.729 1.00 0.42 O ATOM 444 CB GLU A 114 7.853 6.924 -2.510 1.00 74.43 C ATOM 445 CG GLU A 114 8.274 7.699 -3.747 1.00 73.12 C ATOM 446 CD GLU A 114 7.299 8.805 -4.101 1.00 52.32 C ATOM 447 OE1 GLU A 114 6.144 8.488 -4.454 1.00 71.44 O ATOM 448 OE2 GLU A 114 7.691 9.989 -4.027 1.00 13.13 O ATOM 0 H GLU A 114 5.845 5.615 -1.767 1.00 12.23 H new ATOM 0 HA GLU A 114 7.858 5.214 -3.812 1.00 55.11 H new ATOM 0 HB2 GLU A 114 6.912 7.331 -2.139 1.00 74.43 H new ATOM 0 HB3 GLU A 114 8.596 7.075 -1.727 1.00 74.43 H new ATOM 0 HG2 GLU A 114 9.262 8.129 -3.583 1.00 73.12 H new ATOM 0 HG3 GLU A 114 8.361 7.013 -4.589 1.00 73.12 H new ATOM 455 N LYS A 115 9.766 4.188 -2.597 1.00 11.42 N ATOM 456 CA LYS A 115 10.817 3.429 -1.931 1.00 2.55 C ATOM 457 C LYS A 115 11.679 4.341 -1.063 1.00 22.11 C ATOM 458 O LYS A 115 12.415 3.873 -0.194 1.00 64.04 O ATOM 459 CB LYS A 115 11.691 2.715 -2.963 1.00 63.34 C ATOM 460 CG LYS A 115 11.240 1.297 -3.264 1.00 64.44 C ATOM 461 CD LYS A 115 12.357 0.294 -3.026 1.00 61.01 C ATOM 462 CE LYS A 115 13.334 0.259 -4.192 1.00 32.12 C ATOM 463 NZ LYS A 115 14.465 -0.675 -3.940 1.00 4.35 N ATOM 0 H LYS A 115 9.918 4.332 -3.595 1.00 11.42 H new ATOM 0 HA LYS A 115 10.343 2.686 -1.289 1.00 2.55 H new ATOM 0 HB2 LYS A 115 11.691 3.292 -3.888 1.00 63.34 H new ATOM 0 HB3 LYS A 115 12.719 2.692 -2.602 1.00 63.34 H new ATOM 0 HG2 LYS A 115 10.384 1.046 -2.637 1.00 64.44 H new ATOM 0 HG3 LYS A 115 10.906 1.232 -4.300 1.00 64.44 H new ATOM 0 HD2 LYS A 115 12.890 0.552 -2.111 1.00 61.01 H new ATOM 0 HD3 LYS A 115 11.931 -0.698 -2.877 1.00 61.01 H new ATOM 0 HE2 LYS A 115 12.808 -0.044 -5.097 1.00 32.12 H new ATOM 0 HE3 LYS A 115 13.724 1.261 -4.370 1.00 32.12 H new ATOM 0 HZ1 LYS A 115 15.108 -0.670 -4.757 1.00 4.35 H new ATOM 0 HZ2 LYS A 115 14.983 -0.372 -3.090 1.00 4.35 H new ATOM 0 HZ3 LYS A 115 14.096 -1.636 -3.796 1.00 4.35 H new ATOM 477 N ASP A 116 11.582 5.645 -1.303 1.00 71.41 N ATOM 478 CA ASP A 116 12.351 6.622 -0.542 1.00 61.50 C ATOM 479 C ASP A 116 12.176 6.403 0.958 1.00 62.52 C ATOM 480 O ASP A 116 13.151 6.228 1.689 1.00 22.11 O ATOM 481 CB ASP A 116 11.924 8.042 -0.916 1.00 33.54 C ATOM 482 CG ASP A 116 13.107 8.942 -1.216 1.00 55.32 C ATOM 483 OD1 ASP A 116 13.631 8.873 -2.346 1.00 51.14 O ATOM 484 OD2 ASP A 116 13.507 9.714 -0.320 1.00 41.35 O ATOM 0 H ASP A 116 10.978 6.049 -2.019 1.00 71.41 H new ATOM 0 HA ASP A 116 13.404 6.491 -0.789 1.00 61.50 H new ATOM 0 HB2 ASP A 116 11.270 8.004 -1.787 1.00 33.54 H new ATOM 0 HB3 ASP A 116 11.343 8.471 -0.099 1.00 33.54 H new ATOM 489 N THR A 117 10.926 6.413 1.410 1.00 34.33 N ATOM 490 CA THR A 117 10.622 6.217 2.822 1.00 2.45 C ATOM 491 C THR A 117 9.450 5.260 3.006 1.00 43.52 C ATOM 492 O THR A 117 8.847 5.201 4.077 1.00 63.43 O ATOM 493 CB THR A 117 10.294 7.553 3.516 1.00 34.22 C ATOM 494 OG1 THR A 117 10.238 8.607 2.548 1.00 4.54 O ATOM 495 CG2 THR A 117 11.334 7.884 4.575 1.00 62.11 C ATOM 0 H THR A 117 10.107 6.555 0.818 1.00 34.33 H new ATOM 0 HA THR A 117 11.513 5.787 3.280 1.00 2.45 H new ATOM 0 HB THR A 117 9.324 7.455 4.003 1.00 34.22 H new ATOM 0 HG1 THR A 117 9.370 9.058 2.605 1.00 4.54 H new ATOM 0 HG21 THR A 117 11.080 8.831 5.050 1.00 62.11 H new ATOM 0 HG22 THR A 117 11.352 7.094 5.326 1.00 62.11 H new ATOM 0 HG23 THR A 117 12.316 7.964 4.108 1.00 62.11 H new ATOM 503 N MET A 118 9.133 4.512 1.954 1.00 45.44 N ATOM 504 CA MET A 118 8.034 3.556 2.000 1.00 35.12 C ATOM 505 C MET A 118 6.715 4.258 2.305 1.00 12.14 C ATOM 506 O MET A 118 5.753 3.629 2.747 1.00 34.22 O ATOM 507 CB MET A 118 8.308 2.482 3.054 1.00 20.55 C ATOM 508 CG MET A 118 8.597 1.111 2.465 1.00 53.22 C ATOM 509 SD MET A 118 8.158 -0.233 3.585 1.00 45.24 S ATOM 510 CE MET A 118 6.439 -0.489 3.151 1.00 4.41 C ATOM 0 H MET A 118 9.622 4.550 1.060 1.00 45.44 H new ATOM 0 HA MET A 118 7.956 3.083 1.021 1.00 35.12 H new ATOM 0 HB2 MET A 118 9.156 2.792 3.665 1.00 20.55 H new ATOM 0 HB3 MET A 118 7.447 2.409 3.718 1.00 20.55 H new ATOM 0 HG2 MET A 118 8.044 0.997 1.532 1.00 53.22 H new ATOM 0 HG3 MET A 118 9.656 1.042 2.218 1.00 53.22 H new ATOM 0 HE1 MET A 118 5.925 -0.981 3.977 1.00 4.41 H new ATOM 0 HE2 MET A 118 5.967 0.473 2.951 1.00 4.41 H new ATOM 0 HE3 MET A 118 6.378 -1.115 2.261 1.00 4.41 H new ATOM 520 N ASP A 119 6.676 5.565 2.067 1.00 62.44 N ATOM 521 CA ASP A 119 5.475 6.352 2.315 1.00 53.44 C ATOM 522 C ASP A 119 4.388 6.021 1.297 1.00 73.00 C ATOM 523 O ASP A 119 4.680 5.641 0.162 1.00 32.43 O ATOM 524 CB ASP A 119 5.799 7.846 2.265 1.00 73.10 C ATOM 525 CG ASP A 119 6.417 8.348 3.556 1.00 72.42 C ATOM 526 OD1 ASP A 119 6.093 7.789 4.624 1.00 30.34 O ATOM 527 OD2 ASP A 119 7.224 9.299 3.497 1.00 32.33 O ATOM 0 H ASP A 119 7.463 6.101 1.702 1.00 62.44 H new ATOM 0 HA ASP A 119 5.105 6.101 3.309 1.00 53.44 H new ATOM 0 HB2 ASP A 119 6.483 8.039 1.439 1.00 73.10 H new ATOM 0 HB3 ASP A 119 4.887 8.406 2.060 1.00 73.10 H new ATOM 532 N VAL A 120 3.133 6.168 1.709 1.00 74.40 N ATOM 533 CA VAL A 120 2.002 5.884 0.833 1.00 4.45 C ATOM 534 C VAL A 120 1.353 7.172 0.340 1.00 14.13 C ATOM 535 O VAL A 120 0.841 7.964 1.132 1.00 50.20 O ATOM 536 CB VAL A 120 0.940 5.028 1.548 1.00 20.42 C ATOM 537 CG1 VAL A 120 -0.288 4.856 0.667 1.00 50.41 C ATOM 538 CG2 VAL A 120 1.520 3.677 1.938 1.00 72.03 C ATOM 0 H VAL A 120 2.874 6.482 2.644 1.00 74.40 H new ATOM 0 HA VAL A 120 2.393 5.328 -0.019 1.00 4.45 H new ATOM 0 HB VAL A 120 0.635 5.543 2.459 1.00 20.42 H new ATOM 0 HG11 VAL A 120 -1.028 4.249 1.188 1.00 50.41 H new ATOM 0 HG12 VAL A 120 -0.714 5.834 0.442 1.00 50.41 H new ATOM 0 HG13 VAL A 120 -0.003 4.362 -0.262 1.00 50.41 H new ATOM 0 HG21 VAL A 120 0.756 3.085 2.442 1.00 72.03 H new ATOM 0 HG22 VAL A 120 1.854 3.152 1.043 1.00 72.03 H new ATOM 0 HG23 VAL A 120 2.366 3.824 2.609 1.00 72.03 H new ATOM 548 N TRP A 121 1.377 7.376 -0.972 1.00 60.31 N ATOM 549 CA TRP A 121 0.790 8.568 -1.572 1.00 0.00 C ATOM 550 C TRP A 121 -0.631 8.294 -2.050 1.00 33.21 C ATOM 551 O TRP A 121 -0.844 7.513 -2.979 1.00 1.34 O ATOM 552 CB TRP A 121 1.650 9.052 -2.740 1.00 45.44 C ATOM 553 CG TRP A 121 1.321 10.446 -3.182 1.00 42.33 C ATOM 554 CD1 TRP A 121 0.675 10.811 -4.329 1.00 42.51 C ATOM 555 CD2 TRP A 121 1.624 11.660 -2.487 1.00 14.12 C ATOM 556 NE1 TRP A 121 0.558 12.179 -4.388 1.00 71.33 N ATOM 557 CE2 TRP A 121 1.131 12.723 -3.268 1.00 40.35 C ATOM 558 CE3 TRP A 121 2.260 11.953 -1.277 1.00 44.32 C ATOM 559 CZ2 TRP A 121 1.259 14.054 -2.881 1.00 34.30 C ATOM 560 CZ3 TRP A 121 2.386 13.275 -0.893 1.00 64.54 C ATOM 561 CH2 TRP A 121 1.886 14.311 -1.692 1.00 41.22 C ATOM 0 H TRP A 121 1.797 6.731 -1.641 1.00 60.31 H new ATOM 0 HA TRP A 121 0.753 9.347 -0.810 1.00 0.00 H new ATOM 0 HB2 TRP A 121 2.700 9.008 -2.451 1.00 45.44 H new ATOM 0 HB3 TRP A 121 1.522 8.372 -3.582 1.00 45.44 H new ATOM 0 HD1 TRP A 121 0.310 10.125 -5.079 1.00 42.51 H new ATOM 0 HE1 TRP A 121 0.116 12.704 -5.143 1.00 71.33 H new ATOM 0 HE3 TRP A 121 2.646 11.160 -0.653 1.00 44.32 H new ATOM 0 HZ2 TRP A 121 0.877 14.855 -3.497 1.00 34.30 H new ATOM 0 HZ3 TRP A 121 2.878 13.513 0.038 1.00 64.54 H new ATOM 0 HH2 TRP A 121 1.998 15.334 -1.363 1.00 41.22 H new ATOM 572 N CYS A 122 -1.600 8.940 -1.412 1.00 34.43 N ATOM 573 CA CYS A 122 -3.003 8.764 -1.772 1.00 52.34 C ATOM 574 C CYS A 122 -3.750 10.093 -1.716 1.00 5.24 C ATOM 575 O CYS A 122 -3.623 10.847 -0.752 1.00 23.21 O ATOM 576 CB CYS A 122 -3.668 7.752 -0.839 1.00 74.32 C ATOM 577 SG CYS A 122 -5.473 7.719 -0.949 1.00 51.42 S ATOM 0 H CYS A 122 -1.441 9.591 -0.643 1.00 34.43 H new ATOM 0 HA CYS A 122 -3.045 8.387 -2.794 1.00 52.34 H new ATOM 0 HB2 CYS A 122 -3.283 6.758 -1.066 1.00 74.32 H new ATOM 0 HB3 CYS A 122 -3.382 7.978 0.188 1.00 74.32 H new ATOM 0 HG CYS A 122 -5.942 6.831 -0.124 1.00 51.42 H new ATOM 583 N ASN A 123 -4.526 10.374 -2.757 1.00 30.13 N ATOM 584 CA ASN A 123 -5.291 11.613 -2.827 1.00 14.24 C ATOM 585 C ASN A 123 -4.372 12.827 -2.727 1.00 60.20 C ATOM 586 O ASN A 123 -4.744 13.856 -2.165 1.00 23.11 O ATOM 587 CB ASN A 123 -6.335 11.657 -1.709 1.00 62.01 C ATOM 588 CG ASN A 123 -7.753 11.706 -2.243 1.00 50.23 C ATOM 589 OD1 ASN A 123 -8.493 12.655 -1.983 1.00 53.03 O ATOM 590 ND2 ASN A 123 -8.139 10.681 -2.994 1.00 43.52 N ATOM 0 H ASN A 123 -4.642 9.761 -3.564 1.00 30.13 H new ATOM 0 HA ASN A 123 -5.799 11.642 -3.791 1.00 14.24 H new ATOM 0 HB2 ASN A 123 -6.219 10.779 -1.073 1.00 62.01 H new ATOM 0 HB3 ASN A 123 -6.155 12.531 -1.082 1.00 62.01 H new ATOM 0 HD21 ASN A 123 -9.082 10.659 -3.381 1.00 43.52 H new ATOM 0 HD22 ASN A 123 -7.492 9.916 -3.184 1.00 43.52 H new ATOM 597 N GLY A 124 -3.169 12.698 -3.278 1.00 53.52 N ATOM 598 CA GLY A 124 -2.215 13.791 -3.241 1.00 30.31 C ATOM 599 C GLY A 124 -1.902 14.239 -1.828 1.00 23.20 C ATOM 600 O GLY A 124 -1.954 15.429 -1.521 1.00 55.40 O ATOM 0 H GLY A 124 -2.838 11.856 -3.749 1.00 53.52 H new ATOM 0 HA2 GLY A 124 -1.293 13.481 -3.733 1.00 30.31 H new ATOM 0 HA3 GLY A 124 -2.611 14.634 -3.807 1.00 30.31 H new ATOM 604 N GLN A 125 -1.576 13.282 -0.964 1.00 42.13 N ATOM 605 CA GLN A 125 -1.254 13.585 0.425 1.00 33.50 C ATOM 606 C GLN A 125 -0.502 12.428 1.075 1.00 73.44 C ATOM 607 O GLN A 125 -1.000 11.303 1.130 1.00 51.23 O ATOM 608 CB GLN A 125 -2.531 13.885 1.212 1.00 73.32 C ATOM 609 CG GLN A 125 -2.595 15.305 1.750 1.00 61.21 C ATOM 610 CD GLN A 125 -3.870 16.023 1.353 1.00 53.44 C ATOM 611 OE1 GLN A 125 -4.348 15.885 0.226 1.00 42.24 O ATOM 612 NE2 GLN A 125 -4.428 16.796 2.277 1.00 32.14 N ATOM 0 H GLN A 125 -1.528 12.291 -1.202 1.00 42.13 H new ATOM 0 HA GLN A 125 -0.611 14.465 0.439 1.00 33.50 H new ATOM 0 HB2 GLN A 125 -3.394 13.710 0.569 1.00 73.32 H new ATOM 0 HB3 GLN A 125 -2.607 13.186 2.045 1.00 73.32 H new ATOM 0 HG2 GLN A 125 -2.519 15.281 2.837 1.00 61.21 H new ATOM 0 HG3 GLN A 125 -1.737 15.867 1.383 1.00 61.21 H new ATOM 0 HE21 GLN A 125 -3.998 16.881 3.198 1.00 32.14 H new ATOM 0 HE22 GLN A 125 -5.287 17.304 2.066 1.00 32.14 H new ATOM 621 N LYS A 126 0.699 12.711 1.567 1.00 32.12 N ATOM 622 CA LYS A 126 1.520 11.696 2.215 1.00 73.34 C ATOM 623 C LYS A 126 0.752 11.010 3.339 1.00 33.31 C ATOM 624 O LYS A 126 0.632 11.548 4.440 1.00 62.10 O ATOM 625 CB LYS A 126 2.802 12.323 2.766 1.00 31.44 C ATOM 626 CG LYS A 126 4.038 11.466 2.554 1.00 45.23 C ATOM 627 CD LYS A 126 5.241 12.028 3.295 1.00 15.13 C ATOM 628 CE LYS A 126 6.144 12.826 2.367 1.00 2.40 C ATOM 629 NZ LYS A 126 6.989 13.797 3.116 1.00 65.30 N ATOM 0 H LYS A 126 1.126 13.637 1.529 1.00 32.12 H new ATOM 0 HA LYS A 126 1.782 10.946 1.469 1.00 73.34 H new ATOM 0 HB2 LYS A 126 2.956 13.292 2.291 1.00 31.44 H new ATOM 0 HB3 LYS A 126 2.677 12.508 3.833 1.00 31.44 H new ATOM 0 HG2 LYS A 126 3.841 10.450 2.897 1.00 45.23 H new ATOM 0 HG3 LYS A 126 4.261 11.405 1.489 1.00 45.23 H new ATOM 0 HD2 LYS A 126 4.902 12.666 4.111 1.00 15.13 H new ATOM 0 HD3 LYS A 126 5.808 11.212 3.743 1.00 15.13 H new ATOM 0 HE2 LYS A 126 6.784 12.144 1.807 1.00 2.40 H new ATOM 0 HE3 LYS A 126 5.535 13.361 1.639 1.00 2.40 H new ATOM 0 HZ1 LYS A 126 7.590 14.321 2.449 1.00 65.30 H new ATOM 0 HZ2 LYS A 126 6.379 14.464 3.630 1.00 65.30 H new ATOM 0 HZ3 LYS A 126 7.589 13.285 3.793 1.00 65.30 H new ATOM 643 N MET A 127 0.233 9.819 3.056 1.00 5.52 N ATOM 644 CA MET A 127 -0.522 9.059 4.046 1.00 11.44 C ATOM 645 C MET A 127 0.310 8.828 5.304 1.00 4.44 C ATOM 646 O MET A 127 1.491 9.169 5.348 1.00 23.02 O ATOM 647 CB MET A 127 -0.966 7.718 3.461 1.00 63.33 C ATOM 648 CG MET A 127 -1.995 7.851 2.350 1.00 72.34 C ATOM 649 SD MET A 127 -3.685 7.637 2.939 1.00 33.55 S ATOM 650 CE MET A 127 -3.601 5.981 3.619 1.00 43.40 C ATOM 0 H MET A 127 0.322 9.360 2.150 1.00 5.52 H new ATOM 0 HA MET A 127 -1.404 9.639 4.317 1.00 11.44 H new ATOM 0 HB2 MET A 127 -0.093 7.192 3.075 1.00 63.33 H new ATOM 0 HB3 MET A 127 -1.382 7.103 4.259 1.00 63.33 H new ATOM 0 HG2 MET A 127 -1.898 8.832 1.886 1.00 72.34 H new ATOM 0 HG3 MET A 127 -1.787 7.111 1.577 1.00 72.34 H new ATOM 0 HE1 MET A 127 -4.218 5.310 3.021 1.00 43.40 H new ATOM 0 HE2 MET A 127 -2.568 5.633 3.604 1.00 43.40 H new ATOM 0 HE3 MET A 127 -3.965 5.991 4.646 1.00 43.40 H new ATOM 660 N GLU A 128 -0.316 8.248 6.324 1.00 42.53 N ATOM 661 CA GLU A 128 0.368 7.974 7.582 1.00 64.13 C ATOM 662 C GLU A 128 0.376 6.478 7.881 1.00 64.50 C ATOM 663 O GLU A 128 -0.646 5.901 8.251 1.00 75.43 O ATOM 664 CB GLU A 128 -0.304 8.731 8.729 1.00 72.53 C ATOM 665 CG GLU A 128 0.164 8.290 10.105 1.00 35.54 C ATOM 666 CD GLU A 128 0.546 9.457 10.994 1.00 0.32 C ATOM 667 OE1 GLU A 128 1.549 10.134 10.683 1.00 15.04 O ATOM 668 OE2 GLU A 128 -0.156 9.693 11.999 1.00 5.34 O ATOM 0 H GLU A 128 -1.294 7.959 6.303 1.00 42.53 H new ATOM 0 HA GLU A 128 1.399 8.314 7.487 1.00 64.13 H new ATOM 0 HB2 GLU A 128 -0.110 9.797 8.613 1.00 72.53 H new ATOM 0 HB3 GLU A 128 -1.383 8.594 8.660 1.00 72.53 H new ATOM 0 HG2 GLU A 128 -0.627 7.715 10.587 1.00 35.54 H new ATOM 0 HG3 GLU A 128 1.021 7.625 9.997 1.00 35.54 H new ATOM 675 N THR A 129 1.539 5.854 7.717 1.00 61.24 N ATOM 676 CA THR A 129 1.683 4.425 7.967 1.00 35.23 C ATOM 677 C THR A 129 2.276 4.165 9.346 1.00 21.05 C ATOM 678 O THR A 129 2.489 5.093 10.127 1.00 61.04 O ATOM 679 CB THR A 129 2.571 3.755 6.903 1.00 24.45 C ATOM 680 OG1 THR A 129 3.942 4.113 7.113 1.00 2.25 O ATOM 681 CG2 THR A 129 2.144 4.166 5.503 1.00 70.21 C ATOM 0 H THR A 129 2.395 6.317 7.412 1.00 61.24 H new ATOM 0 HA THR A 129 0.683 3.994 7.918 1.00 35.23 H new ATOM 0 HB THR A 129 2.459 2.675 6.997 1.00 24.45 H new ATOM 0 HG1 THR A 129 4.414 4.116 6.254 1.00 2.25 H new ATOM 0 HG21 THR A 129 2.787 3.680 4.769 1.00 70.21 H new ATOM 0 HG22 THR A 129 1.110 3.866 5.335 1.00 70.21 H new ATOM 0 HG23 THR A 129 2.229 5.248 5.399 1.00 70.21 H new ATOM 689 N ALA A 130 2.543 2.897 9.642 1.00 33.43 N ATOM 690 CA ALA A 130 3.115 2.515 10.927 1.00 11.42 C ATOM 691 C ALA A 130 4.618 2.285 10.812 1.00 71.04 C ATOM 692 O ALA A 130 5.380 2.635 11.711 1.00 22.21 O ATOM 693 CB ALA A 130 2.427 1.269 11.462 1.00 35.32 C ATOM 0 H ALA A 130 2.372 2.116 9.008 1.00 33.43 H new ATOM 0 HA ALA A 130 2.952 3.334 11.627 1.00 11.42 H new ATOM 0 HB1 ALA A 130 2.865 0.996 12.422 1.00 35.32 H new ATOM 0 HB2 ALA A 130 1.363 1.468 11.592 1.00 35.32 H new ATOM 0 HB3 ALA A 130 2.559 0.449 10.756 1.00 35.32 H new ATOM 699 N GLY A 131 5.037 1.691 9.698 1.00 14.53 N ATOM 700 CA GLY A 131 6.447 1.422 9.487 1.00 2.40 C ATOM 701 C GLY A 131 6.976 0.339 10.406 1.00 41.42 C ATOM 702 O GLY A 131 8.060 0.472 10.972 1.00 44.03 O ATOM 0 H GLY A 131 4.425 1.392 8.939 1.00 14.53 H new ATOM 0 HA2 GLY A 131 6.605 1.124 8.451 1.00 2.40 H new ATOM 0 HA3 GLY A 131 7.016 2.338 9.645 1.00 2.40 H new ATOM 706 N GLU A 132 6.206 -0.734 10.557 1.00 52.32 N ATOM 707 CA GLU A 132 6.603 -1.843 11.416 1.00 70.10 C ATOM 708 C GLU A 132 7.538 -2.796 10.678 1.00 42.24 C ATOM 709 O GLU A 132 7.151 -3.426 9.693 1.00 34.33 O ATOM 710 CB GLU A 132 5.369 -2.602 11.909 1.00 44.23 C ATOM 711 CG GLU A 132 4.930 -2.208 13.309 1.00 0.31 C ATOM 712 CD GLU A 132 4.064 -3.262 13.968 1.00 73.32 C ATOM 713 OE1 GLU A 132 4.610 -4.305 14.384 1.00 74.51 O ATOM 714 OE2 GLU A 132 2.837 -3.045 14.068 1.00 41.02 O ATOM 0 H GLU A 132 5.305 -0.859 10.096 1.00 52.32 H new ATOM 0 HA GLU A 132 7.135 -1.432 12.274 1.00 70.10 H new ATOM 0 HB2 GLU A 132 4.545 -2.428 11.217 1.00 44.23 H new ATOM 0 HB3 GLU A 132 5.580 -3.671 11.891 1.00 44.23 H new ATOM 0 HG2 GLU A 132 5.811 -2.030 13.925 1.00 0.31 H new ATOM 0 HG3 GLU A 132 4.379 -1.269 13.262 1.00 0.31 H new ATOM 781 N GLY A 137 10.411 -8.331 5.994 1.00 11.30 N ATOM 782 CA GLY A 137 9.349 -7.596 5.332 1.00 53.33 C ATOM 783 C GLY A 137 8.942 -6.351 6.095 1.00 75.22 C ATOM 784 O GLY A 137 9.486 -6.061 7.161 1.00 71.00 O ATOM 0 HA2 GLY A 137 9.676 -7.314 4.331 1.00 53.33 H new ATOM 0 HA3 GLY A 137 8.482 -8.245 5.213 1.00 53.33 H new ATOM 788 N THR A 138 7.982 -5.610 5.549 1.00 62.14 N ATOM 789 CA THR A 138 7.505 -4.388 6.183 1.00 74.52 C ATOM 790 C THR A 138 5.982 -4.319 6.166 1.00 62.23 C ATOM 791 O THR A 138 5.354 -4.523 5.127 1.00 45.22 O ATOM 792 CB THR A 138 8.073 -3.136 5.489 1.00 74.34 C ATOM 793 OG1 THR A 138 9.050 -3.517 4.514 1.00 32.11 O ATOM 794 CG2 THR A 138 8.702 -2.193 6.503 1.00 32.42 C ATOM 0 H THR A 138 7.520 -5.836 4.668 1.00 62.14 H new ATOM 0 HA THR A 138 7.853 -4.410 7.216 1.00 74.52 H new ATOM 0 HB THR A 138 7.251 -2.617 4.996 1.00 74.34 H new ATOM 0 HG1 THR A 138 9.199 -2.774 3.893 1.00 32.11 H new ATOM 0 HG21 THR A 138 9.096 -1.316 5.989 1.00 32.42 H new ATOM 0 HG22 THR A 138 7.948 -1.881 7.226 1.00 32.42 H new ATOM 0 HG23 THR A 138 9.513 -2.705 7.021 1.00 32.42 H new ATOM 802 N GLU A 139 5.394 -4.030 7.323 1.00 42.35 N ATOM 803 CA GLU A 139 3.944 -3.934 7.439 1.00 55.13 C ATOM 804 C GLU A 139 3.508 -2.484 7.627 1.00 53.50 C ATOM 805 O GLU A 139 3.522 -1.957 8.740 1.00 4.05 O ATOM 806 CB GLU A 139 3.447 -4.783 8.610 1.00 74.13 C ATOM 807 CG GLU A 139 4.114 -6.145 8.702 1.00 44.25 C ATOM 808 CD GLU A 139 3.628 -6.954 9.888 1.00 61.42 C ATOM 809 OE1 GLU A 139 3.859 -6.523 11.037 1.00 45.14 O ATOM 810 OE2 GLU A 139 3.016 -8.021 9.667 1.00 42.12 O ATOM 0 H GLU A 139 5.899 -3.859 8.192 1.00 42.35 H new ATOM 0 HA GLU A 139 3.506 -4.310 6.515 1.00 55.13 H new ATOM 0 HB2 GLU A 139 3.619 -4.240 9.540 1.00 74.13 H new ATOM 0 HB3 GLU A 139 2.370 -4.921 8.516 1.00 74.13 H new ATOM 0 HG2 GLU A 139 3.923 -6.702 7.785 1.00 44.25 H new ATOM 0 HG3 GLU A 139 5.193 -6.012 8.775 1.00 44.25 H new ATOM 817 N THR A 140 3.120 -1.841 6.529 1.00 43.31 N ATOM 818 CA THR A 140 2.682 -0.451 6.571 1.00 34.50 C ATOM 819 C THR A 140 1.212 -0.351 6.963 1.00 1.52 C ATOM 820 O THR A 140 0.326 -0.720 6.191 1.00 64.13 O ATOM 821 CB THR A 140 2.888 0.244 5.212 1.00 21.12 C ATOM 822 OG1 THR A 140 3.287 -0.716 4.226 1.00 0.43 O ATOM 823 CG2 THR A 140 3.940 1.337 5.318 1.00 44.00 C ATOM 0 H THR A 140 3.100 -2.261 5.600 1.00 43.31 H new ATOM 0 HA THR A 140 3.291 0.051 7.323 1.00 34.50 H new ATOM 0 HB THR A 140 1.943 0.699 4.914 1.00 21.12 H new ATOM 0 HG1 THR A 140 3.715 -0.255 3.475 1.00 0.43 H new ATOM 0 HG21 THR A 140 4.069 1.814 4.346 1.00 44.00 H new ATOM 0 HG22 THR A 140 3.620 2.081 6.048 1.00 44.00 H new ATOM 0 HG23 THR A 140 4.887 0.901 5.636 1.00 44.00 H new ATOM 831 N HIS A 141 0.958 0.153 8.166 1.00 3.55 N ATOM 832 CA HIS A 141 -0.406 0.304 8.660 1.00 30.12 C ATOM 833 C HIS A 141 -0.868 1.753 8.545 1.00 14.22 C ATOM 834 O HIS A 141 -0.464 2.609 9.332 1.00 3.24 O ATOM 835 CB HIS A 141 -0.498 -0.159 10.114 1.00 35.10 C ATOM 836 CG HIS A 141 0.068 -1.526 10.345 1.00 34.02 C ATOM 837 ND1 HIS A 141 -0.656 -2.684 10.148 1.00 14.14 N ATOM 838 CD2 HIS A 141 1.296 -1.918 10.756 1.00 41.13 C ATOM 839 CE1 HIS A 141 0.103 -3.728 10.430 1.00 14.24 C ATOM 840 NE2 HIS A 141 1.292 -3.290 10.802 1.00 64.53 N ATOM 0 H HIS A 141 1.679 0.464 8.817 1.00 3.55 H new ATOM 0 HA HIS A 141 -1.059 -0.317 8.047 1.00 30.12 H new ATOM 0 HB2 HIS A 141 0.028 0.555 10.748 1.00 35.10 H new ATOM 0 HB3 HIS A 141 -1.543 -0.150 10.424 1.00 35.10 H new ATOM 0 HD2 HIS A 141 2.125 -1.272 11.002 1.00 41.13 H new ATOM 0 HE1 HIS A 141 -0.198 -4.763 10.367 1.00 14.24 H new ATOM 0 HE2 HIS A 141 2.080 -3.876 11.079 1.00 64.53 H new ATOM 848 N PHE A 142 -1.718 2.022 7.559 1.00 63.31 N ATOM 849 CA PHE A 142 -2.233 3.368 7.339 1.00 22.24 C ATOM 850 C PHE A 142 -3.758 3.367 7.297 1.00 71.35 C ATOM 851 O PHE A 142 -4.371 2.506 6.664 1.00 42.40 O ATOM 852 CB PHE A 142 -1.676 3.945 6.035 1.00 33.43 C ATOM 853 CG PHE A 142 -1.803 3.012 4.866 1.00 44.12 C ATOM 854 CD1 PHE A 142 -2.991 2.925 4.158 1.00 64.41 C ATOM 855 CD2 PHE A 142 -0.734 2.223 4.473 1.00 71.34 C ATOM 856 CE1 PHE A 142 -3.111 2.066 3.081 1.00 5.52 C ATOM 857 CE2 PHE A 142 -0.847 1.362 3.397 1.00 1.41 C ATOM 858 CZ PHE A 142 -2.037 1.286 2.699 1.00 65.24 C ATOM 0 H PHE A 142 -2.065 1.325 6.900 1.00 63.31 H new ATOM 0 HA PHE A 142 -1.910 3.993 8.171 1.00 22.24 H new ATOM 0 HB2 PHE A 142 -2.197 4.875 5.806 1.00 33.43 H new ATOM 0 HB3 PHE A 142 -0.625 4.196 6.177 1.00 33.43 H new ATOM 0 HD1 PHE A 142 -3.833 3.535 4.451 1.00 64.41 H new ATOM 0 HD2 PHE A 142 0.199 2.281 5.014 1.00 71.34 H new ATOM 0 HE1 PHE A 142 -4.043 2.005 2.539 1.00 5.52 H new ATOM 0 HE2 PHE A 142 -0.007 0.750 3.103 1.00 1.41 H new ATOM 0 HZ PHE A 142 -2.127 0.617 1.856 1.00 65.24 H new ATOM 868 N SER A 143 -4.365 4.335 7.976 1.00 41.35 N ATOM 869 CA SER A 143 -5.818 4.443 8.020 1.00 63.04 C ATOM 870 C SER A 143 -6.309 5.547 7.088 1.00 74.21 C ATOM 871 O SER A 143 -5.563 6.465 6.747 1.00 51.42 O ATOM 872 CB SER A 143 -6.287 4.721 9.450 1.00 50.03 C ATOM 873 OG SER A 143 -5.621 5.847 9.995 1.00 63.41 O ATOM 0 H SER A 143 -3.873 5.056 8.503 1.00 41.35 H new ATOM 0 HA SER A 143 -6.239 3.495 7.685 1.00 63.04 H new ATOM 0 HB2 SER A 143 -7.363 4.893 9.456 1.00 50.03 H new ATOM 0 HB3 SER A 143 -6.100 3.847 10.074 1.00 50.03 H new ATOM 0 HG SER A 143 -5.939 6.005 10.908 1.00 63.41 H new ATOM 879 N VAL A 144 -7.571 5.450 6.680 1.00 50.13 N ATOM 880 CA VAL A 144 -8.163 6.440 5.788 1.00 35.43 C ATOM 881 C VAL A 144 -9.589 6.778 6.212 1.00 42.33 C ATOM 882 O VAL A 144 -10.510 5.989 6.010 1.00 34.33 O ATOM 883 CB VAL A 144 -8.177 5.945 4.329 1.00 1.43 C ATOM 884 CG1 VAL A 144 -8.844 6.969 3.424 1.00 41.41 C ATOM 885 CG2 VAL A 144 -6.763 5.644 3.856 1.00 21.44 C ATOM 0 H VAL A 144 -8.202 4.697 6.953 1.00 50.13 H new ATOM 0 HA VAL A 144 -7.545 7.335 5.854 1.00 35.43 H new ATOM 0 HB VAL A 144 -8.756 5.023 4.282 1.00 1.43 H new ATOM 0 HG11 VAL A 144 -8.844 6.602 2.398 1.00 41.41 H new ATOM 0 HG12 VAL A 144 -9.871 7.130 3.752 1.00 41.41 H new ATOM 0 HG13 VAL A 144 -8.295 7.910 3.473 1.00 41.41 H new ATOM 0 HG21 VAL A 144 -6.791 5.296 2.824 1.00 21.44 H new ATOM 0 HG22 VAL A 144 -6.158 6.549 3.917 1.00 21.44 H new ATOM 0 HG23 VAL A 144 -6.325 4.872 4.488 1.00 21.44 H new ATOM 895 N GLY A 145 -9.761 7.957 6.801 1.00 13.22 N ATOM 896 CA GLY A 145 -11.077 8.379 7.244 1.00 3.22 C ATOM 897 C GLY A 145 -11.725 7.375 8.177 1.00 72.03 C ATOM 898 O GLY A 145 -11.345 7.264 9.341 1.00 4.21 O ATOM 0 H GLY A 145 -9.013 8.627 6.979 1.00 13.22 H new ATOM 0 HA2 GLY A 145 -10.995 9.341 7.750 1.00 3.22 H new ATOM 0 HA3 GLY A 145 -11.718 8.530 6.376 1.00 3.22 H new ATOM 902 N ASN A 146 -12.708 6.642 7.663 1.00 5.13 N ATOM 903 CA ASN A 146 -13.412 5.643 8.459 1.00 45.43 C ATOM 904 C ASN A 146 -13.207 4.245 7.882 1.00 14.31 C ATOM 905 O ASN A 146 -14.028 3.351 8.089 1.00 41.12 O ATOM 906 CB ASN A 146 -14.906 5.969 8.519 1.00 40.33 C ATOM 907 CG ASN A 146 -15.418 6.074 9.942 1.00 21.24 C ATOM 908 OD1 ASN A 146 -15.660 5.064 10.603 1.00 34.04 O ATOM 909 ND2 ASN A 146 -15.584 7.302 10.422 1.00 71.32 N ATOM 0 H ASN A 146 -13.035 6.721 6.700 1.00 5.13 H new ATOM 0 HA ASN A 146 -13.002 5.664 9.469 1.00 45.43 H new ATOM 0 HB2 ASN A 146 -15.091 6.909 7.999 1.00 40.33 H new ATOM 0 HB3 ASN A 146 -15.465 5.197 7.991 1.00 40.33 H new ATOM 0 HD21 ASN A 146 -15.925 7.436 11.374 1.00 71.32 H new ATOM 0 HD22 ASN A 146 -15.371 8.111 9.838 1.00 71.32 H new ATOM 916 N HIS A 147 -12.107 4.065 7.158 1.00 14.11 N ATOM 917 CA HIS A 147 -11.794 2.776 6.552 1.00 60.12 C ATOM 918 C HIS A 147 -10.499 2.207 7.123 1.00 0.43 C ATOM 919 O HIS A 147 -9.792 2.880 7.873 1.00 33.04 O ATOM 920 CB HIS A 147 -11.676 2.917 5.034 1.00 41.54 C ATOM 921 CG HIS A 147 -12.792 3.703 4.417 1.00 50.45 C ATOM 922 ND1 HIS A 147 -14.113 3.546 4.778 1.00 31.34 N ATOM 923 CD2 HIS A 147 -12.777 4.659 3.458 1.00 15.10 C ATOM 924 CE1 HIS A 147 -14.863 4.369 4.068 1.00 1.51 C ATOM 925 NE2 HIS A 147 -14.077 5.056 3.260 1.00 40.53 N ATOM 0 H HIS A 147 -11.418 4.795 6.977 1.00 14.11 H new ATOM 0 HA HIS A 147 -12.606 2.087 6.784 1.00 60.12 H new ATOM 0 HB2 HIS A 147 -10.728 3.399 4.795 1.00 41.54 H new ATOM 0 HB3 HIS A 147 -11.651 1.924 4.586 1.00 41.54 H new ATOM 0 HD2 HIS A 147 -11.906 5.038 2.945 1.00 15.10 H new ATOM 0 HE1 HIS A 147 -15.937 4.464 4.137 1.00 1.51 H new ATOM 0 HE2 HIS A 147 -14.385 5.767 2.596 1.00 40.53 H new ATOM 933 N ASP A 148 -10.196 0.965 6.766 1.00 72.34 N ATOM 934 CA ASP A 148 -8.986 0.305 7.243 1.00 45.33 C ATOM 935 C ASP A 148 -8.212 -0.316 6.083 1.00 10.24 C ATOM 936 O ASP A 148 -8.733 -1.169 5.364 1.00 23.31 O ATOM 937 CB ASP A 148 -9.337 -0.770 8.272 1.00 33.10 C ATOM 938 CG ASP A 148 -8.710 -0.503 9.626 1.00 15.13 C ATOM 939 OD1 ASP A 148 -7.516 -0.822 9.801 1.00 3.02 O ATOM 940 OD2 ASP A 148 -9.414 0.027 10.510 1.00 34.54 O ATOM 0 H ASP A 148 -10.772 0.394 6.147 1.00 72.34 H new ATOM 0 HA ASP A 148 -8.355 1.057 7.716 1.00 45.33 H new ATOM 0 HB2 ASP A 148 -10.420 -0.824 8.381 1.00 33.10 H new ATOM 0 HB3 ASP A 148 -9.004 -1.741 7.906 1.00 33.10 H new ATOM 945 N CYS A 149 -6.969 0.118 5.909 1.00 11.12 N ATOM 946 CA CYS A 149 -6.124 -0.394 4.836 1.00 74.43 C ATOM 947 C CYS A 149 -4.677 -0.527 5.299 1.00 34.15 C ATOM 948 O CYS A 149 -4.318 -0.068 6.384 1.00 44.10 O ATOM 949 CB CYS A 149 -6.199 0.526 3.617 1.00 43.52 C ATOM 950 SG CYS A 149 -6.365 2.280 4.024 1.00 21.23 S ATOM 0 H CYS A 149 -6.524 0.823 6.497 1.00 11.12 H new ATOM 0 HA CYS A 149 -6.490 -1.383 4.560 1.00 74.43 H new ATOM 0 HB2 CYS A 149 -5.301 0.387 3.015 1.00 43.52 H new ATOM 0 HB3 CYS A 149 -7.046 0.226 3.000 1.00 43.52 H new ATOM 0 HG CYS A 149 -5.266 2.903 3.716 1.00 21.23 H new ATOM 956 N TYR A 150 -3.853 -1.160 4.473 1.00 4.24 N ATOM 957 CA TYR A 150 -2.445 -1.357 4.800 1.00 75.34 C ATOM 958 C TYR A 150 -1.701 -2.004 3.636 1.00 43.21 C ATOM 959 O TYR A 150 -2.269 -2.799 2.886 1.00 1.50 O ATOM 960 CB TYR A 150 -2.308 -2.225 6.052 1.00 71.30 C ATOM 961 CG TYR A 150 -2.918 -3.601 5.905 1.00 43.03 C ATOM 962 CD1 TYR A 150 -4.265 -3.818 6.167 1.00 23.11 C ATOM 963 CD2 TYR A 150 -2.146 -4.685 5.502 1.00 33.12 C ATOM 964 CE1 TYR A 150 -4.826 -5.074 6.035 1.00 44.14 C ATOM 965 CE2 TYR A 150 -2.699 -5.943 5.365 1.00 23.41 C ATOM 966 CZ TYR A 150 -4.039 -6.133 5.634 1.00 40.14 C ATOM 967 OH TYR A 150 -4.594 -7.385 5.498 1.00 24.41 O ATOM 0 H TYR A 150 -4.135 -1.546 3.572 1.00 4.24 H new ATOM 0 HA TYR A 150 -2.002 -0.380 4.992 1.00 75.34 H new ATOM 0 HB2 TYR A 150 -1.251 -2.330 6.297 1.00 71.30 H new ATOM 0 HB3 TYR A 150 -2.781 -1.715 6.891 1.00 71.30 H new ATOM 0 HD1 TYR A 150 -4.885 -2.990 6.479 1.00 23.11 H new ATOM 0 HD2 TYR A 150 -1.096 -4.541 5.293 1.00 33.12 H new ATOM 0 HE1 TYR A 150 -5.875 -5.225 6.245 1.00 44.14 H new ATOM 0 HE2 TYR A 150 -2.086 -6.774 5.049 1.00 23.41 H new ATOM 0 HH TYR A 150 -3.905 -8.018 5.207 1.00 24.41 H new ATOM 977 N ILE A 151 -0.427 -1.657 3.492 1.00 72.14 N ATOM 978 CA ILE A 151 0.397 -2.203 2.420 1.00 61.31 C ATOM 979 C ILE A 151 1.237 -3.375 2.916 1.00 4.14 C ATOM 980 O ILE A 151 2.162 -3.198 3.709 1.00 1.13 O ATOM 981 CB ILE A 151 1.330 -1.133 1.824 1.00 73.21 C ATOM 982 CG1 ILE A 151 0.584 -0.299 0.781 1.00 10.41 C ATOM 983 CG2 ILE A 151 2.559 -1.785 1.210 1.00 43.34 C ATOM 984 CD1 ILE A 151 1.371 0.895 0.287 1.00 74.14 C ATOM 0 H ILE A 151 0.058 -1.000 4.104 1.00 72.14 H new ATOM 0 HA ILE A 151 -0.285 -2.550 1.644 1.00 61.31 H new ATOM 0 HB ILE A 151 1.657 -0.470 2.625 1.00 73.21 H new ATOM 0 HG12 ILE A 151 0.332 -0.934 -0.068 1.00 10.41 H new ATOM 0 HG13 ILE A 151 -0.356 0.048 1.210 1.00 10.41 H new ATOM 0 HG21 ILE A 151 3.209 -1.016 0.793 1.00 43.34 H new ATOM 0 HG22 ILE A 151 3.099 -2.339 1.978 1.00 43.34 H new ATOM 0 HG23 ILE A 151 2.251 -2.468 0.418 1.00 43.34 H new ATOM 0 HD11 ILE A 151 0.781 1.440 -0.450 1.00 74.14 H new ATOM 0 HD12 ILE A 151 1.600 1.552 1.126 1.00 74.14 H new ATOM 0 HD13 ILE A 151 2.299 0.554 -0.172 1.00 74.14 H new ATOM 996 N LYS A 152 0.912 -4.572 2.443 1.00 70.53 N ATOM 997 CA LYS A 152 1.637 -5.775 2.835 1.00 63.13 C ATOM 998 C LYS A 152 2.916 -5.929 2.016 1.00 20.15 C ATOM 999 O LYS A 152 2.876 -6.343 0.858 1.00 4.23 O ATOM 1000 CB LYS A 152 0.753 -7.011 2.656 1.00 52.10 C ATOM 1001 CG LYS A 152 1.503 -8.323 2.809 1.00 22.32 C ATOM 1002 CD LYS A 152 0.549 -9.500 2.932 1.00 42.22 C ATOM 1003 CE LYS A 152 1.084 -10.552 3.892 1.00 55.23 C ATOM 1004 NZ LYS A 152 0.024 -11.513 4.307 1.00 11.41 N ATOM 0 H LYS A 152 0.149 -4.736 1.786 1.00 70.53 H new ATOM 0 HA LYS A 152 1.907 -5.680 3.887 1.00 63.13 H new ATOM 0 HB2 LYS A 152 -0.056 -6.977 3.386 1.00 52.10 H new ATOM 0 HB3 LYS A 152 0.293 -6.978 1.668 1.00 52.10 H new ATOM 0 HG2 LYS A 152 2.157 -8.472 1.950 1.00 22.32 H new ATOM 0 HG3 LYS A 152 2.142 -8.277 3.691 1.00 22.32 H new ATOM 0 HD2 LYS A 152 -0.422 -9.148 3.280 1.00 42.22 H new ATOM 0 HD3 LYS A 152 0.393 -9.947 1.950 1.00 42.22 H new ATOM 0 HE2 LYS A 152 1.901 -11.095 3.417 1.00 55.23 H new ATOM 0 HE3 LYS A 152 1.497 -10.063 4.774 1.00 55.23 H new ATOM 0 HZ1 LYS A 152 0.428 -12.214 4.961 1.00 11.41 H new ATOM 0 HZ2 LYS A 152 -0.744 -10.998 4.783 1.00 11.41 H new ATOM 0 HZ3 LYS A 152 -0.352 -11.999 3.468 1.00 11.41 H new ATOM 1018 N ALA A 153 4.048 -5.596 2.628 1.00 11.32 N ATOM 1019 CA ALA A 153 5.338 -5.702 1.957 1.00 53.40 C ATOM 1020 C ALA A 153 6.017 -7.028 2.279 1.00 4.12 C ATOM 1021 O ALA A 153 5.864 -7.566 3.375 1.00 33.13 O ATOM 1022 CB ALA A 153 6.235 -4.538 2.353 1.00 53.24 C ATOM 0 H ALA A 153 4.098 -5.251 3.587 1.00 11.32 H new ATOM 0 HA ALA A 153 5.165 -5.665 0.882 1.00 53.40 H new ATOM 0 HB1 ALA A 153 7.195 -4.629 1.845 1.00 53.24 H new ATOM 0 HB2 ALA A 153 5.761 -3.599 2.067 1.00 53.24 H new ATOM 0 HB3 ALA A 153 6.393 -4.551 3.431 1.00 53.24 H new ATOM 1028 N VAL A 154 6.768 -7.552 1.316 1.00 51.03 N ATOM 1029 CA VAL A 154 7.471 -8.816 1.496 1.00 0.02 C ATOM 1030 C VAL A 154 8.812 -8.809 0.769 1.00 14.12 C ATOM 1031 O VAL A 154 8.867 -8.660 -0.451 1.00 50.02 O ATOM 1032 CB VAL A 154 6.631 -10.004 0.989 1.00 4.30 C ATOM 1033 CG1 VAL A 154 7.289 -11.322 1.365 1.00 20.32 C ATOM 1034 CG2 VAL A 154 5.215 -9.928 1.540 1.00 65.33 C ATOM 0 H VAL A 154 6.905 -7.120 0.402 1.00 51.03 H new ATOM 0 HA VAL A 154 7.642 -8.932 2.566 1.00 0.02 H new ATOM 0 HB VAL A 154 6.576 -9.951 -0.098 1.00 4.30 H new ATOM 0 HG11 VAL A 154 6.681 -12.150 0.999 1.00 20.32 H new ATOM 0 HG12 VAL A 154 8.281 -11.374 0.917 1.00 20.32 H new ATOM 0 HG13 VAL A 154 7.377 -11.389 2.449 1.00 20.32 H new ATOM 0 HG21 VAL A 154 4.635 -10.775 1.172 1.00 65.33 H new ATOM 0 HG22 VAL A 154 5.246 -9.956 2.629 1.00 65.33 H new ATOM 0 HG23 VAL A 154 4.747 -8.999 1.214 1.00 65.33 H new ATOM 1044 N SER A 155 9.891 -8.971 1.528 1.00 11.53 N ATOM 1045 CA SER A 155 11.232 -8.979 0.957 1.00 22.44 C ATOM 1046 C SER A 155 11.592 -10.366 0.435 1.00 71.23 C ATOM 1047 O SER A 155 11.306 -11.377 1.078 1.00 64.41 O ATOM 1048 CB SER A 155 12.257 -8.534 2.002 1.00 61.11 C ATOM 1049 OG SER A 155 12.839 -9.650 2.653 1.00 0.12 O ATOM 0 H SER A 155 9.862 -9.098 2.540 1.00 11.53 H new ATOM 0 HA SER A 155 11.248 -8.279 0.121 1.00 22.44 H new ATOM 0 HB2 SER A 155 13.036 -7.942 1.522 1.00 61.11 H new ATOM 0 HB3 SER A 155 11.775 -7.890 2.738 1.00 61.11 H new ATOM 0 HG SER A 155 13.492 -9.339 3.315 1.00 0.12 H new ATOM 1055 N SER A 156 12.220 -10.407 -0.736 1.00 52.12 N ATOM 1056 CA SER A 156 12.615 -11.671 -1.348 1.00 11.40 C ATOM 1057 C SER A 156 14.054 -11.603 -1.851 1.00 43.32 C ATOM 1058 O SER A 156 14.556 -10.532 -2.190 1.00 11.05 O ATOM 1059 CB SER A 156 11.675 -12.018 -2.504 1.00 20.03 C ATOM 1060 OG SER A 156 12.335 -12.803 -3.480 1.00 63.53 O ATOM 0 H SER A 156 12.466 -9.580 -1.280 1.00 52.12 H new ATOM 0 HA SER A 156 12.549 -12.451 -0.589 1.00 11.40 H new ATOM 0 HB2 SER A 156 10.809 -12.559 -2.123 1.00 20.03 H new ATOM 0 HB3 SER A 156 11.302 -11.101 -2.961 1.00 20.03 H new ATOM 0 HG SER A 156 11.712 -13.013 -4.207 1.00 63.53 H new ATOM 1066 N GLY A 157 14.713 -12.757 -1.897 1.00 74.35 N ATOM 1067 CA GLY A 157 16.087 -12.809 -2.360 1.00 30.23 C ATOM 1068 C GLY A 157 17.059 -13.165 -1.252 1.00 11.41 C ATOM 1069 O GLY A 157 16.889 -14.175 -0.568 1.00 45.30 O ATOM 0 H GLY A 157 14.319 -13.657 -1.622 1.00 74.35 H new ATOM 0 HA2 GLY A 157 16.170 -13.543 -3.161 1.00 30.23 H new ATOM 0 HA3 GLY A 157 16.361 -11.843 -2.783 1.00 30.23 H new ATOM 1073 N LYS A 158 18.080 -12.335 -1.074 1.00 3.11 N ATOM 1074 CA LYS A 158 19.084 -12.566 -0.042 1.00 3.12 C ATOM 1075 C LYS A 158 19.158 -11.384 0.921 1.00 72.41 C ATOM 1076 O LYS A 158 18.843 -11.515 2.104 1.00 42.31 O ATOM 1077 CB LYS A 158 20.455 -12.806 -0.678 1.00 41.44 C ATOM 1078 CG LYS A 158 20.662 -14.231 -1.159 1.00 22.25 C ATOM 1079 CD LYS A 158 21.597 -14.999 -0.239 1.00 20.34 C ATOM 1080 CE LYS A 158 20.855 -15.572 0.959 1.00 50.23 C ATOM 1081 NZ LYS A 158 21.650 -16.623 1.653 1.00 74.02 N ATOM 0 H LYS A 158 18.235 -11.495 -1.632 1.00 3.11 H new ATOM 0 HA LYS A 158 18.792 -13.453 0.521 1.00 3.12 H new ATOM 0 HB2 LYS A 158 20.579 -12.126 -1.520 1.00 41.44 H new ATOM 0 HB3 LYS A 158 21.231 -12.560 0.047 1.00 41.44 H new ATOM 0 HG2 LYS A 158 19.701 -14.742 -1.211 1.00 22.25 H new ATOM 0 HG3 LYS A 158 21.072 -14.219 -2.169 1.00 22.25 H new ATOM 0 HD2 LYS A 158 22.072 -15.807 -0.794 1.00 20.34 H new ATOM 0 HD3 LYS A 158 22.393 -14.339 0.106 1.00 20.34 H new ATOM 0 HE2 LYS A 158 20.623 -14.770 1.660 1.00 50.23 H new ATOM 0 HE3 LYS A 158 19.905 -15.993 0.630 1.00 50.23 H new ATOM 0 HZ1 LYS A 158 21.110 -16.988 2.463 1.00 74.02 H new ATOM 0 HZ2 LYS A 158 21.850 -17.400 0.992 1.00 74.02 H new ATOM 0 HZ3 LYS A 158 22.546 -16.215 1.989 1.00 74.02 H new ATOM 1095 N ARG A 159 19.575 -10.233 0.405 1.00 41.03 N ATOM 1096 CA ARG A 159 19.689 -9.028 1.218 1.00 23.44 C ATOM 1097 C ARG A 159 19.144 -7.815 0.473 1.00 34.13 C ATOM 1098 O ARG A 159 19.868 -7.150 -0.268 1.00 71.32 O ATOM 1099 CB ARG A 159 21.149 -8.788 1.609 1.00 52.04 C ATOM 1100 CG ARG A 159 21.429 -9.003 3.087 1.00 33.42 C ATOM 1101 CD ARG A 159 22.730 -9.759 3.304 1.00 51.14 C ATOM 1102 NE ARG A 159 22.660 -10.649 4.459 1.00 12.13 N ATOM 1103 CZ ARG A 159 23.512 -11.645 4.673 1.00 70.31 C ATOM 1104 NH1 ARG A 159 24.494 -11.877 3.812 1.00 11.14 N ATOM 1105 NH2 ARG A 159 23.383 -12.411 5.748 1.00 63.52 N ATOM 0 H ARG A 159 19.840 -10.109 -0.572 1.00 41.03 H new ATOM 0 HA ARG A 159 19.097 -9.172 2.122 1.00 23.44 H new ATOM 0 HB2 ARG A 159 21.786 -9.454 1.027 1.00 52.04 H new ATOM 0 HB3 ARG A 159 21.425 -7.768 1.341 1.00 52.04 H new ATOM 0 HG2 ARG A 159 21.479 -8.039 3.593 1.00 33.42 H new ATOM 0 HG3 ARG A 159 20.606 -9.557 3.537 1.00 33.42 H new ATOM 0 HD2 ARG A 159 22.964 -10.340 2.412 1.00 51.14 H new ATOM 0 HD3 ARG A 159 23.544 -9.047 3.444 1.00 51.14 H new ATOM 0 HE ARG A 159 21.915 -10.497 5.139 1.00 12.13 H new ATOM 0 HH11 ARG A 159 24.596 -11.290 2.984 1.00 11.14 H new ATOM 0 HH12 ARG A 159 25.148 -12.642 3.978 1.00 11.14 H new ATOM 0 HH21 ARG A 159 22.629 -12.236 6.412 1.00 63.52 H new ATOM 0 HH22 ARG A 159 24.038 -13.176 5.911 1.00 63.52 H new ATOM 1119 N LYS A 160 17.861 -7.531 0.674 1.00 22.02 N ATOM 1120 CA LYS A 160 17.216 -6.397 0.022 1.00 63.04 C ATOM 1121 C LYS A 160 17.278 -6.535 -1.496 1.00 53.23 C ATOM 1122 O LYS A 160 17.251 -5.540 -2.220 1.00 33.11 O ATOM 1123 CB LYS A 160 17.883 -5.089 0.453 1.00 3.11 C ATOM 1124 CG LYS A 160 16.897 -3.966 0.727 1.00 1.42 C ATOM 1125 CD LYS A 160 17.370 -3.075 1.864 1.00 12.12 C ATOM 1126 CE LYS A 160 16.212 -2.637 2.747 1.00 34.20 C ATOM 1127 NZ LYS A 160 15.931 -3.628 3.823 1.00 35.03 N ATOM 0 H LYS A 160 17.247 -8.071 1.284 1.00 22.02 H new ATOM 0 HA LYS A 160 16.169 -6.382 0.325 1.00 63.04 H new ATOM 0 HB2 LYS A 160 18.473 -5.270 1.351 1.00 3.11 H new ATOM 0 HB3 LYS A 160 18.577 -4.771 -0.325 1.00 3.11 H new ATOM 0 HG2 LYS A 160 16.765 -3.368 -0.175 1.00 1.42 H new ATOM 0 HG3 LYS A 160 15.923 -4.388 0.975 1.00 1.42 H new ATOM 0 HD2 LYS A 160 18.105 -3.610 2.465 1.00 12.12 H new ATOM 0 HD3 LYS A 160 17.870 -2.197 1.456 1.00 12.12 H new ATOM 0 HE2 LYS A 160 16.442 -1.670 3.194 1.00 34.20 H new ATOM 0 HE3 LYS A 160 15.320 -2.501 2.136 1.00 34.20 H new ATOM 0 HZ1 LYS A 160 15.135 -3.294 4.404 1.00 35.03 H new ATOM 0 HZ2 LYS A 160 15.687 -4.544 3.396 1.00 35.03 H new ATOM 0 HZ3 LYS A 160 16.774 -3.739 4.422 1.00 35.03 H new ATOM 1141 N GLU A 161 17.360 -7.775 -1.970 1.00 10.42 N ATOM 1142 CA GLU A 161 17.424 -8.041 -3.402 1.00 15.20 C ATOM 1143 C GLU A 161 16.185 -7.504 -4.112 1.00 12.24 C ATOM 1144 O GLU A 161 16.259 -6.531 -4.863 1.00 32.30 O ATOM 1145 CB GLU A 161 17.560 -9.543 -3.659 1.00 25.04 C ATOM 1146 CG GLU A 161 18.890 -9.937 -4.280 1.00 31.33 C ATOM 1147 CD GLU A 161 18.758 -11.080 -5.267 1.00 30.25 C ATOM 1148 OE1 GLU A 161 18.099 -12.085 -4.926 1.00 55.11 O ATOM 1149 OE2 GLU A 161 19.313 -10.970 -6.379 1.00 22.32 O ATOM 0 H GLU A 161 17.384 -8.609 -1.384 1.00 10.42 H new ATOM 0 HA GLU A 161 18.300 -7.530 -3.801 1.00 15.20 H new ATOM 0 HB2 GLU A 161 17.436 -10.077 -2.717 1.00 25.04 H new ATOM 0 HB3 GLU A 161 16.752 -9.865 -4.316 1.00 25.04 H new ATOM 0 HG2 GLU A 161 19.320 -9.073 -4.786 1.00 31.33 H new ATOM 0 HG3 GLU A 161 19.585 -10.223 -3.490 1.00 31.33 H new ATOM 1156 N GLY A 162 15.046 -8.145 -3.868 1.00 54.34 N ATOM 1157 CA GLY A 162 13.806 -7.718 -4.492 1.00 14.35 C ATOM 1158 C GLY A 162 12.638 -7.727 -3.526 1.00 21.22 C ATOM 1159 O GLY A 162 12.298 -8.769 -2.963 1.00 2.33 O ATOM 0 H GLY A 162 14.959 -8.952 -3.250 1.00 54.34 H new ATOM 0 HA2 GLY A 162 13.933 -6.713 -4.895 1.00 14.35 H new ATOM 0 HA3 GLY A 162 13.582 -8.373 -5.334 1.00 14.35 H new ATOM 1163 N ILE A 163 12.022 -6.566 -3.332 1.00 24.34 N ATOM 1164 CA ILE A 163 10.887 -6.445 -2.427 1.00 30.53 C ATOM 1165 C ILE A 163 9.594 -6.196 -3.196 1.00 71.04 C ATOM 1166 O ILE A 163 9.593 -5.515 -4.223 1.00 61.24 O ATOM 1167 CB ILE A 163 11.095 -5.307 -1.411 1.00 55.55 C ATOM 1168 CG1 ILE A 163 12.388 -5.525 -0.623 1.00 74.42 C ATOM 1169 CG2 ILE A 163 9.903 -5.213 -0.469 1.00 63.32 C ATOM 1170 CD1 ILE A 163 12.775 -4.346 0.242 1.00 61.02 C ATOM 0 H ILE A 163 12.291 -5.695 -3.790 1.00 24.34 H new ATOM 0 HA ILE A 163 10.810 -7.390 -1.890 1.00 30.53 H new ATOM 0 HB ILE A 163 11.179 -4.366 -1.955 1.00 55.55 H new ATOM 0 HG12 ILE A 163 12.275 -6.407 0.008 1.00 74.42 H new ATOM 0 HG13 ILE A 163 13.198 -5.734 -1.321 1.00 74.42 H new ATOM 0 HG21 ILE A 163 10.065 -4.404 0.243 1.00 63.32 H new ATOM 0 HG22 ILE A 163 8.999 -5.014 -1.045 1.00 63.32 H new ATOM 0 HG23 ILE A 163 9.790 -6.154 0.070 1.00 63.32 H new ATOM 0 HD11 ILE A 163 13.701 -4.571 0.771 1.00 61.02 H new ATOM 0 HD12 ILE A 163 12.921 -3.467 -0.385 1.00 61.02 H new ATOM 0 HD13 ILE A 163 11.983 -4.149 0.964 1.00 61.02 H new ATOM 1182 N ILE A 164 8.496 -6.749 -2.694 1.00 61.31 N ATOM 1183 CA ILE A 164 7.196 -6.585 -3.333 1.00 44.41 C ATOM 1184 C ILE A 164 6.152 -6.095 -2.336 1.00 30.32 C ATOM 1185 O ILE A 164 6.008 -6.652 -1.247 1.00 4.43 O ATOM 1186 CB ILE A 164 6.709 -7.902 -3.965 1.00 11.41 C ATOM 1187 CG1 ILE A 164 7.747 -8.431 -4.956 1.00 62.34 C ATOM 1188 CG2 ILE A 164 5.368 -7.694 -4.655 1.00 5.15 C ATOM 1189 CD1 ILE A 164 8.212 -9.837 -4.650 1.00 23.51 C ATOM 0 H ILE A 164 8.480 -7.315 -1.846 1.00 61.31 H new ATOM 0 HA ILE A 164 7.322 -5.840 -4.119 1.00 44.41 H new ATOM 0 HB ILE A 164 6.578 -8.641 -3.175 1.00 11.41 H new ATOM 0 HG12 ILE A 164 7.324 -8.407 -5.960 1.00 62.34 H new ATOM 0 HG13 ILE A 164 8.609 -7.764 -4.958 1.00 62.34 H new ATOM 0 HG21 ILE A 164 5.037 -8.634 -5.097 1.00 5.15 H new ATOM 0 HG22 ILE A 164 4.632 -7.357 -3.925 1.00 5.15 H new ATOM 0 HG23 ILE A 164 5.474 -6.943 -5.437 1.00 5.15 H new ATOM 0 HD11 ILE A 164 8.947 -10.147 -5.393 1.00 23.51 H new ATOM 0 HD12 ILE A 164 8.665 -9.863 -3.659 1.00 23.51 H new ATOM 0 HD13 ILE A 164 7.360 -10.516 -4.677 1.00 23.51 H new ATOM 1201 N HIS A 165 5.423 -5.051 -2.716 1.00 34.14 N ATOM 1202 CA HIS A 165 4.389 -4.487 -1.856 1.00 73.23 C ATOM 1203 C HIS A 165 2.999 -4.809 -2.395 1.00 34.41 C ATOM 1204 O HIS A 165 2.752 -4.723 -3.599 1.00 70.12 O ATOM 1205 CB HIS A 165 4.564 -2.973 -1.737 1.00 50.31 C ATOM 1206 CG HIS A 165 5.993 -2.543 -1.602 1.00 73.22 C ATOM 1207 ND1 HIS A 165 6.753 -2.115 -2.668 1.00 41.24 N ATOM 1208 CD2 HIS A 165 6.798 -2.478 -0.516 1.00 44.32 C ATOM 1209 CE1 HIS A 165 7.966 -1.805 -2.245 1.00 0.31 C ATOM 1210 NE2 HIS A 165 8.019 -2.017 -0.943 1.00 14.42 N ATOM 0 H HIS A 165 5.529 -4.578 -3.614 1.00 34.14 H new ATOM 0 HA HIS A 165 4.489 -4.935 -0.868 1.00 73.23 H new ATOM 0 HB2 HIS A 165 4.131 -2.495 -2.616 1.00 50.31 H new ATOM 0 HB3 HIS A 165 4.003 -2.618 -0.873 1.00 50.31 H new ATOM 0 HD2 HIS A 165 6.530 -2.740 0.497 1.00 44.32 H new ATOM 0 HE1 HIS A 165 8.776 -1.440 -2.860 1.00 0.31 H new ATOM 0 HE2 HIS A 165 8.835 -1.863 -0.350 1.00 14.42 H new ATOM 1218 N THR A 166 2.092 -5.182 -1.497 1.00 11.21 N ATOM 1219 CA THR A 166 0.728 -5.519 -1.883 1.00 34.22 C ATOM 1220 C THR A 166 -0.287 -4.747 -1.047 1.00 34.24 C ATOM 1221 O THR A 166 -0.482 -5.036 0.135 1.00 10.44 O ATOM 1222 CB THR A 166 0.458 -7.028 -1.731 1.00 73.32 C ATOM 1223 OG1 THR A 166 1.529 -7.648 -1.012 1.00 13.25 O ATOM 1224 CG2 THR A 166 0.305 -7.689 -3.092 1.00 60.34 C ATOM 0 H THR A 166 2.278 -5.258 -0.497 1.00 11.21 H new ATOM 0 HA THR A 166 0.619 -5.241 -2.931 1.00 34.22 H new ATOM 0 HB THR A 166 -0.472 -7.154 -1.176 1.00 73.32 H new ATOM 0 HG1 THR A 166 1.638 -7.208 -0.143 1.00 13.25 H new ATOM 0 HG21 THR A 166 0.115 -8.754 -2.960 1.00 60.34 H new ATOM 0 HG22 THR A 166 -0.530 -7.235 -3.625 1.00 60.34 H new ATOM 0 HG23 THR A 166 1.220 -7.552 -3.668 1.00 60.34 H new ATOM 1232 N LEU A 167 -0.932 -3.764 -1.666 1.00 23.41 N ATOM 1233 CA LEU A 167 -1.928 -2.951 -0.979 1.00 53.52 C ATOM 1234 C LEU A 167 -3.159 -3.779 -0.625 1.00 44.10 C ATOM 1235 O LEU A 167 -3.637 -4.574 -1.435 1.00 32.31 O ATOM 1236 CB LEU A 167 -2.333 -1.761 -1.851 1.00 60.22 C ATOM 1237 CG LEU A 167 -3.604 -1.021 -1.430 1.00 23.13 C ATOM 1238 CD1 LEU A 167 -3.517 -0.599 0.029 1.00 45.25 C ATOM 1239 CD2 LEU A 167 -3.837 0.189 -2.323 1.00 75.11 C ATOM 0 H LEU A 167 -0.783 -3.511 -2.643 1.00 23.41 H new ATOM 0 HA LEU A 167 -1.484 -2.582 -0.054 1.00 53.52 H new ATOM 0 HB2 LEU A 167 -1.509 -1.048 -1.863 1.00 60.22 H new ATOM 0 HB3 LEU A 167 -2.464 -2.114 -2.874 1.00 60.22 H new ATOM 0 HG LEU A 167 -4.450 -1.699 -1.542 1.00 23.13 H new ATOM 0 HD11 LEU A 167 -4.430 -0.074 0.311 1.00 45.25 H new ATOM 0 HD12 LEU A 167 -3.398 -1.482 0.657 1.00 45.25 H new ATOM 0 HD13 LEU A 167 -2.661 0.062 0.166 1.00 45.25 H new ATOM 0 HD21 LEU A 167 -4.745 0.703 -2.009 1.00 75.11 H new ATOM 0 HD22 LEU A 167 -2.989 0.869 -2.243 1.00 75.11 H new ATOM 0 HD23 LEU A 167 -3.944 -0.137 -3.357 1.00 75.11 H new ATOM 1251 N ILE A 168 -3.667 -3.585 0.586 1.00 32.34 N ATOM 1252 CA ILE A 168 -4.845 -4.312 1.046 1.00 65.22 C ATOM 1253 C ILE A 168 -5.789 -3.398 1.817 1.00 32.42 C ATOM 1254 O ILE A 168 -5.455 -2.909 2.896 1.00 63.41 O ATOM 1255 CB ILE A 168 -4.456 -5.504 1.941 1.00 53.25 C ATOM 1256 CG1 ILE A 168 -3.451 -6.404 1.221 1.00 25.12 C ATOM 1257 CG2 ILE A 168 -5.695 -6.295 2.336 1.00 61.01 C ATOM 1258 CD1 ILE A 168 -3.242 -7.741 1.898 1.00 34.12 C ATOM 0 H ILE A 168 -3.282 -2.931 1.267 1.00 32.34 H new ATOM 0 HA ILE A 168 -5.353 -4.686 0.157 1.00 65.22 H new ATOM 0 HB ILE A 168 -3.988 -5.121 2.848 1.00 53.25 H new ATOM 0 HG12 ILE A 168 -3.793 -6.573 0.200 1.00 25.12 H new ATOM 0 HG13 ILE A 168 -2.494 -5.886 1.155 1.00 25.12 H new ATOM 0 HG21 ILE A 168 -5.405 -7.134 2.968 1.00 61.01 H new ATOM 0 HG22 ILE A 168 -6.380 -5.648 2.884 1.00 61.01 H new ATOM 0 HG23 ILE A 168 -6.188 -6.670 1.439 1.00 61.01 H new ATOM 0 HD11 ILE A 168 -2.517 -8.326 1.332 1.00 34.12 H new ATOM 0 HD12 ILE A 168 -2.870 -7.582 2.910 1.00 34.12 H new ATOM 0 HD13 ILE A 168 -4.189 -8.279 1.940 1.00 34.12 H new ATOM 1270 N VAL A 169 -6.974 -3.172 1.258 1.00 44.12 N ATOM 1271 CA VAL A 169 -7.970 -2.318 1.894 1.00 44.32 C ATOM 1272 C VAL A 169 -9.215 -3.113 2.270 1.00 3.14 C ATOM 1273 O VAL A 169 -9.807 -3.792 1.431 1.00 15.34 O ATOM 1274 CB VAL A 169 -8.377 -1.150 0.976 1.00 62.44 C ATOM 1275 CG1 VAL A 169 -9.341 -0.218 1.694 1.00 1.14 C ATOM 1276 CG2 VAL A 169 -7.146 -0.393 0.499 1.00 75.40 C ATOM 0 H VAL A 169 -7.268 -3.569 0.365 1.00 44.12 H new ATOM 0 HA VAL A 169 -7.512 -1.916 2.798 1.00 44.32 H new ATOM 0 HB VAL A 169 -8.886 -1.557 0.102 1.00 62.44 H new ATOM 0 HG11 VAL A 169 -9.618 0.601 1.030 1.00 1.14 H new ATOM 0 HG12 VAL A 169 -10.236 -0.771 1.981 1.00 1.14 H new ATOM 0 HG13 VAL A 169 -8.861 0.184 2.586 1.00 1.14 H new ATOM 0 HG21 VAL A 169 -7.452 0.429 -0.148 1.00 75.40 H new ATOM 0 HG22 VAL A 169 -6.607 0.004 1.359 1.00 75.40 H new ATOM 0 HG23 VAL A 169 -6.496 -1.069 -0.056 1.00 75.40 H new ATOM 1286 N ASP A 170 -9.607 -3.023 3.537 1.00 74.44 N ATOM 1287 CA ASP A 170 -10.783 -3.734 4.024 1.00 14.55 C ATOM 1288 C ASP A 170 -10.588 -5.243 3.923 1.00 33.22 C ATOM 1289 O ASP A 170 -11.514 -5.976 3.579 1.00 65.41 O ATOM 1290 CB ASP A 170 -12.024 -3.313 3.233 1.00 50.31 C ATOM 1291 CG ASP A 170 -13.242 -3.134 4.118 1.00 1.11 C ATOM 1292 OD1 ASP A 170 -13.467 -3.991 4.999 1.00 2.40 O ATOM 1293 OD2 ASP A 170 -13.969 -2.137 3.930 1.00 15.35 O ATOM 0 H ASP A 170 -9.128 -2.465 4.244 1.00 74.44 H new ATOM 0 HA ASP A 170 -10.925 -3.474 5.073 1.00 14.55 H new ATOM 0 HB2 ASP A 170 -11.818 -2.379 2.710 1.00 50.31 H new ATOM 0 HB3 ASP A 170 -12.238 -4.064 2.472 1.00 50.31 H new ATOM 1298 N ASN A 171 -9.377 -5.699 4.226 1.00 31.14 N ATOM 1299 CA ASN A 171 -9.060 -7.121 4.169 1.00 62.44 C ATOM 1300 C ASN A 171 -9.266 -7.668 2.759 1.00 20.11 C ATOM 1301 O ASN A 171 -9.804 -8.761 2.578 1.00 11.25 O ATOM 1302 CB ASN A 171 -9.926 -7.899 5.161 1.00 71.12 C ATOM 1303 CG ASN A 171 -9.155 -8.999 5.863 1.00 70.54 C ATOM 1304 OD1 ASN A 171 -9.152 -9.084 7.092 1.00 72.24 O ATOM 1305 ND2 ASN A 171 -8.496 -9.850 5.085 1.00 44.44 N ATOM 0 H ASN A 171 -8.600 -5.105 4.513 1.00 31.14 H new ATOM 0 HA ASN A 171 -8.011 -7.245 4.439 1.00 62.44 H new ATOM 0 HB2 ASN A 171 -10.330 -7.211 5.904 1.00 71.12 H new ATOM 0 HB3 ASN A 171 -10.775 -8.334 4.634 1.00 71.12 H new ATOM 0 HD21 ASN A 171 -7.960 -10.611 5.501 1.00 44.44 H new ATOM 0 HD22 ASN A 171 -8.526 -9.742 4.071 1.00 44.44 H new ATOM 1312 N ARG A 172 -8.834 -6.901 1.763 1.00 12.13 N ATOM 1313 CA ARG A 172 -8.972 -7.306 0.370 1.00 23.43 C ATOM 1314 C ARG A 172 -7.710 -6.975 -0.420 1.00 5.21 C ATOM 1315 O ARG A 172 -7.261 -5.829 -0.439 1.00 13.32 O ATOM 1316 CB ARG A 172 -10.181 -6.620 -0.266 1.00 43.52 C ATOM 1317 CG ARG A 172 -11.396 -7.522 -0.398 1.00 64.41 C ATOM 1318 CD ARG A 172 -11.206 -8.555 -1.499 1.00 12.32 C ATOM 1319 NE ARG A 172 -11.835 -9.830 -1.169 1.00 22.45 N ATOM 1320 CZ ARG A 172 -11.501 -10.983 -1.737 1.00 62.34 C ATOM 1321 NH1 ARG A 172 -10.550 -11.021 -2.659 1.00 42.33 N ATOM 1322 NH2 ARG A 172 -12.119 -12.103 -1.383 1.00 31.34 N ATOM 0 H ARG A 172 -8.385 -5.995 1.896 1.00 12.13 H new ATOM 0 HA ARG A 172 -9.122 -8.385 0.345 1.00 23.43 H new ATOM 0 HB2 ARG A 172 -10.449 -5.749 0.332 1.00 43.52 H new ATOM 0 HB3 ARG A 172 -9.902 -6.254 -1.254 1.00 43.52 H new ATOM 0 HG2 ARG A 172 -11.579 -8.028 0.550 1.00 64.41 H new ATOM 0 HG3 ARG A 172 -12.278 -6.918 -0.613 1.00 64.41 H new ATOM 0 HD2 ARG A 172 -11.626 -8.174 -2.430 1.00 12.32 H new ATOM 0 HD3 ARG A 172 -10.141 -8.710 -1.670 1.00 12.32 H new ATOM 0 HE ARG A 172 -12.572 -9.836 -0.463 1.00 22.45 H new ATOM 0 HH11 ARG A 172 -10.072 -10.163 -2.934 1.00 42.33 H new ATOM 0 HH12 ARG A 172 -10.296 -11.908 -3.093 1.00 42.33 H new ATOM 0 HH21 ARG A 172 -12.852 -12.079 -0.674 1.00 31.34 H new ATOM 0 HH22 ARG A 172 -11.861 -12.988 -1.820 1.00 31.34 H new ATOM 1336 N GLU A 173 -7.141 -7.985 -1.070 1.00 71.31 N ATOM 1337 CA GLU A 173 -5.930 -7.800 -1.860 1.00 44.31 C ATOM 1338 C GLU A 173 -6.177 -6.836 -3.017 1.00 42.11 C ATOM 1339 O GLU A 173 -7.232 -6.868 -3.650 1.00 11.03 O ATOM 1340 CB GLU A 173 -5.434 -9.144 -2.398 1.00 74.13 C ATOM 1341 CG GLU A 173 -3.961 -9.146 -2.767 1.00 43.12 C ATOM 1342 CD GLU A 173 -3.386 -10.547 -2.865 1.00 2.42 C ATOM 1343 OE1 GLU A 173 -4.080 -11.435 -3.403 1.00 64.13 O ATOM 1344 OE2 GLU A 173 -2.244 -10.753 -2.404 1.00 61.34 O ATOM 0 H GLU A 173 -7.499 -8.940 -1.065 1.00 71.31 H new ATOM 0 HA GLU A 173 -5.166 -7.373 -1.211 1.00 44.31 H new ATOM 0 HB2 GLU A 173 -5.613 -9.914 -1.648 1.00 74.13 H new ATOM 0 HB3 GLU A 173 -6.020 -9.413 -3.277 1.00 74.13 H new ATOM 0 HG2 GLU A 173 -3.828 -8.635 -3.721 1.00 43.12 H new ATOM 0 HG3 GLU A 173 -3.403 -8.579 -2.022 1.00 43.12 H new ATOM 1351 N ILE A 174 -5.197 -5.980 -3.286 1.00 21.44 N ATOM 1352 CA ILE A 174 -5.307 -5.007 -4.366 1.00 61.43 C ATOM 1353 C ILE A 174 -4.225 -5.228 -5.417 1.00 31.51 C ATOM 1354 O ILE A 174 -3.042 -5.367 -5.106 1.00 42.43 O ATOM 1355 CB ILE A 174 -5.207 -3.565 -3.837 1.00 3.34 C ATOM 1356 CG1 ILE A 174 -6.339 -3.281 -2.848 1.00 40.11 C ATOM 1357 CG2 ILE A 174 -5.244 -2.574 -4.991 1.00 25.12 C ATOM 1358 CD1 ILE A 174 -7.267 -2.172 -3.293 1.00 70.41 C ATOM 0 H ILE A 174 -4.318 -5.940 -2.771 1.00 21.44 H new ATOM 0 HA ILE A 174 -6.287 -5.150 -4.821 1.00 61.43 H new ATOM 0 HB ILE A 174 -4.257 -3.451 -3.315 1.00 3.34 H new ATOM 0 HG12 ILE A 174 -6.919 -4.192 -2.701 1.00 40.11 H new ATOM 0 HG13 ILE A 174 -5.909 -3.018 -1.882 1.00 40.11 H new ATOM 0 HG21 ILE A 174 -5.172 -1.559 -4.601 1.00 25.12 H new ATOM 0 HG22 ILE A 174 -4.406 -2.765 -5.662 1.00 25.12 H new ATOM 0 HG23 ILE A 174 -6.180 -2.687 -5.538 1.00 25.12 H new ATOM 0 HD11 ILE A 174 -8.045 -2.026 -2.544 1.00 70.41 H new ATOM 0 HD12 ILE A 174 -6.700 -1.249 -3.412 1.00 70.41 H new ATOM 0 HD13 ILE A 174 -7.726 -2.441 -4.244 1.00 70.41 H new ATOM 1370 N PRO A 175 -4.637 -5.262 -6.693 1.00 14.43 N ATOM 1371 CA PRO A 175 -3.719 -5.462 -7.817 1.00 42.40 C ATOM 1372 C PRO A 175 -2.805 -4.262 -8.041 1.00 12.53 C ATOM 1373 O PRO A 175 -3.252 -3.116 -8.007 1.00 62.34 O ATOM 1374 CB PRO A 175 -4.656 -5.650 -9.012 1.00 73.13 C ATOM 1375 CG PRO A 175 -5.909 -4.942 -8.626 1.00 64.45 C ATOM 1376 CD PRO A 175 -6.033 -5.103 -7.137 1.00 64.31 C ATOM 0 HA PRO A 175 -3.047 -6.303 -7.648 1.00 42.40 H new ATOM 0 HB2 PRO A 175 -4.227 -5.229 -9.921 1.00 73.13 H new ATOM 0 HB3 PRO A 175 -4.842 -6.706 -9.207 1.00 73.13 H new ATOM 0 HG2 PRO A 175 -5.863 -3.889 -8.902 1.00 64.45 H new ATOM 0 HG3 PRO A 175 -6.772 -5.368 -9.138 1.00 64.45 H new ATOM 0 HD2 PRO A 175 -6.504 -4.235 -6.677 1.00 64.31 H new ATOM 0 HD3 PRO A 175 -6.639 -5.971 -6.876 1.00 64.31 H new ATOM 1384 N GLU A 176 -1.524 -4.533 -8.269 1.00 62.43 N ATOM 1385 CA GLU A 176 -0.548 -3.474 -8.497 1.00 63.23 C ATOM 1386 C GLU A 176 -0.455 -3.131 -9.982 1.00 22.23 C ATOM 1387 O GLU A 176 -0.333 -4.017 -10.829 1.00 23.23 O ATOM 1388 CB GLU A 176 0.827 -3.894 -7.972 1.00 72.14 C ATOM 1389 CG GLU A 176 1.727 -2.723 -7.617 1.00 71.31 C ATOM 1390 CD GLU A 176 3.196 -3.032 -7.829 1.00 10.33 C ATOM 1391 OE1 GLU A 176 3.687 -4.017 -7.239 1.00 50.35 O ATOM 1392 OE2 GLU A 176 3.855 -2.286 -8.584 1.00 50.00 O ATOM 0 H GLU A 176 -1.138 -5.477 -8.301 1.00 62.43 H new ATOM 0 HA GLU A 176 -0.879 -2.587 -7.956 1.00 63.23 H new ATOM 0 HB2 GLU A 176 0.694 -4.520 -7.089 1.00 72.14 H new ATOM 0 HB3 GLU A 176 1.322 -4.507 -8.725 1.00 72.14 H new ATOM 0 HG2 GLU A 176 1.450 -1.860 -8.222 1.00 71.31 H new ATOM 0 HG3 GLU A 176 1.564 -2.447 -6.575 1.00 71.31 H new